4-propylphenol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
136.19 1 1 2.34 SF_C1687 None Not checked

SMILES: CCCc1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[4-propylphenol] 3.42 2.29 7.0 25.0 Fluorescence spectroscopy Koji Kano 1992
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[4-propylphenol] 3.53 2.37 7.0 25.0 Fluorescence spectroscopy Koji Kano 1992
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[4-propylphenol] 2.55 1.30 7.0 25.0 Fluorescence spectroscopy Koji Kano 1992

4-pyridinecarboxaldehyde azine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
210.23 4 0 1.93 SF_C1189 None Not checked

SMILES: C1(C=NN=CC2=CC=NC=C2)=CC=NC=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[4-pyridinecarboxaldehyde azine] 3.32 2.40 7.0 25.0 UV-vis spectroscopy Donal H. Macartney 2000
[a-Cyclodextrin](2).[4-pyridinecarboxaldehyde azine] 1.85 1.30 7.0 25.0 UV-vis spectroscopy Donal H. Macartney 2000
[b-Cyclodextrin](1).[4-pyridinecarboxaldehyde azine] 2.21 1.56 7.0 25.0 UV-vis spectroscopy Donal H. Macartney 2000

4-t-Butylphenol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
150.22 1 1 2.69 nt0135 None Not checked

SMILES: CC(C)(C)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[4-t-Butylphenol] 1.92 25.0 Kenneth A. Connors 1995

4-t-Butylphenyl acetate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
192.25 2 0 2.91 nt0137 None Not checked

SMILES: CC(=O)Oc1ccc(cc1)C(C)(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[4-t-Butylphenyl acetate] 2.19 25.0 Kenneth A. Connors 1995

4-t-Butylpyridine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
135.21 1 0 2.38 nt0138 None Not checked

SMILES: CC(C)(C)c1ccncc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[4-t-Butylpyridine] 1.93 25.0 Kenneth A. Connors 1995

4-tert-butyl benzoate ion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
177.22 1 0 1.35 JN_355 None Not checked

SMILES: O=C([O-])C1=CC=C(C(C)(C)C)C=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[4-tert-butyl benzoate ion] 1.71 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[a-Cyclodextrin](1).[4-tert-butyl benzoate ion] 1.81 1.28 25.0 potentiometry Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[4-tert-butyl benzoate ion] 2.58 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[4-tert-butyl benzoate ion] 4.26 25.0 microcalorimetry Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[4-tert-butyl benzoate ion] 0.48 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[4-tert-butyl benzoate ion] 1.18 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[4-tert-butyl benzoate ion] 1.67 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[4-tert-butyl benzoate ion] 1.40 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[4-tert-butyl benzoate ion] 0.95 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[4-tert-butyl benzoate ion] 1.87 25.0 capillary electrophoresis Wolfgang Zimmermann 1998

4-tert-butylcatechol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
166.22 2 2 2.40 SF_C1012 None Not checked

SMILES: CC(C)(C)c1ccc(O)c(O)c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[4-tert-butylcatechol] 3.98 3.30 25.0 NMR spectroscopy Dona1 H. Macartney 1993
[b-Cyclodextrin](1).[4-tert-butylcatechol] 3.07 2.18 25.0 UV-vis spectroscopy Dona1 H. Macartney 1993
[a-Cyclodextrin](1).[4-tert-butylcatechol] 1.67 1.48 25.0 NMR spectroscopy Dona1 H. Macartney 1993
[a-Cyclodextrin](1).[4-tert-butylcatechol] 2.15 25.0 UV-vis spectroscopy Dona1 H. Macartney 1993
[a-Cyclodextrin](2).[4-tert-butylcatechol] 1.46 0.90 25.0 NMR spectroscopy Dona1 H. Macartney 1993
[a-Cyclodextrin](2).[4-tert-butylcatechol] 0.70 25.0 UV-vis spectroscopy Dona1 H. Macartney 1993

4-tert-butylpyridine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
135.21 1 0 2.38 SF_C1305 None Not checked

SMILES: CC(C)(C)c1ccncc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[4-tert-butylpyridine] 3.87 3.04 7.0 25.0 NMR spectroscopy Dona1 H. Macartney 1993

4-toluic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
136.15 2 1 1.69 SF_C1529 None Not checked

SMILES: Cc1ccc(cc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[4-toluic acid ] 1.98 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[4-toluic acid ] 2.45 0.90 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

4-tolylacetic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
150.17 2 1 1.62 SF_C1565 None Not checked

SMILES: Cc1ccc(CC(O)=O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[4-tolylacetic acid ] 2.26 0.60 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[4-tolylacetic acid ] 1.61 0.23 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0028 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[ammonium 8-anilino-1-naphthalenesulfonate] 3.23 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[ammonium 8-anilino-1-naphthalenesulfonate] 3.93 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[sodium 6-toluidino-2-naphthalenesulfonate] 3.82 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[sodium 6-toluidino-2-naphthalenesulfonate] 4.42 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[acridine red] 3.51 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[acridine red] 3.44 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[rhodamine B] 3.94 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[rhodamine B] 4.63 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004

5,10,15,20-tetra(m-hydroxyphenyl)chlorin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
682.77 7 6 8.02 SF_C1716 None Not checked

SMILES: OC1=CC(C2=C3CCC(N3)=C(C4=CC=CC(O)=C4)C(CC5)=NC5=C(C6=CC=CC(O)=C6)C7=CC=C(N7)C(C8=CC=CC(O)=C8)=C9C=CC2=N9)=CC=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 2.36 1.48 Fluorescence spectroscopy Athena Kasselouri 1999
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 5.67 4.90 Fluorescence spectroscopy Athena Kasselouri 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 5.90 5.15 Fluorescence spectroscopy Athena Kasselouri 1999
[g-Cyclodextrin](2).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 4.38 3.08 Fluorescence spectroscopy Athena Kasselouri 1999
[Randomly methylated-b-Cyclodextrin (DS ~12)](2).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 8.98 7.70 Fluorescence spectroscopy Athena Kasselouri 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[5,10,15,20-tetra(m-hydroxyphenyl)chlorin] 9.43 8.00 Fluorescence spectroscopy Athena Kasselouri 1999

5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
872.75 8 2 -2.95 SF_C972 None Not checked

SMILES: [O-]C(=O)c1cc(cc(c1)c2c3[nH]c(cc3)c(c4cc(cc(c4)C([O-])=O)C([O-])=O)c5ccc(n5)c(c6[nH]c(cc6)c(c7ccccc7)c8ccc2n8)c9cc(cc(c9)C([O-])=O)C([O-])=O)C([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 1.52 0.60 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[b-Cyclodextrin](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 3.08 2.00 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 4.08 3.00 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[2,3-DMe-b-CD](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 6.93 5.70 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 6.84 5.60 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[g-Cyclodextrin](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 2.81 1.48 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005
[Octakis(2,3,6-tri-O-Methyl)-g-Cyclodextrin](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin] 4.46 3.00 7.0 25.0 Isothermal titration calorimetry Koji Kano 2005