phenylbutazone

CAS:
Other names:
SMILES: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
308.37 4 0 3.92 40.620000000000005 5 87 0.26 C19H20N2O2

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C1178 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](2).[phenylbutazone] 3.20 2.00 7.5 15.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](2).[phenylbutazone] 3.32 2.70 7.5 20.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](2).[phenylbutazone] 3.60 2.78 7.5 25.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](2).[phenylbutazone] 3.78 3.00 7.5 30.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](2).[phenylbutazone] 3.90 3.00 7.5 37.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](1).[phenylbutazone] 3.85 3.30 15.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](1).[phenylbutazone] 3.65 2.90 20.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](1).[phenylbutazone] 3.79 2.95 25.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](1).[phenylbutazone] 3.72 2.95 30.0 UV-vis spectroscopy David Diaz 1998
[a-Cyclodextrin](1).[phenylbutazone] 3.67 2.90 37.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.49 2.85 7.5 15.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.90 3.70 7.5 20.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.85 3.30 7.5 25.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.78 3.00 7.5 30.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.69 2.90 7.5 37.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.69 2.78 25.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.60 3.18 30.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.51 2.70 37.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 4.61 2.30 15.0 UV-vis spectroscopy David Diaz 1998
[b-Cyclodextrin](1).[phenylbutazone] 3.08 2.30 20.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.28 2.60 7.5 25.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.15 2.48 7.5 30.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.04 2.48 7.5 37.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.85 2.95 15.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.57 2.78 20.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.56 2.70 25.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.60 3.00 30.0 UV-vis spectroscopy David Diaz 1998
[g-Cyclodextrin](1).[phenylbutazone] 3.39 1.00 37.0 UV-vis spectroscopy David Diaz 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenylbutazone] 3.34 2.30 15.0 UV-vis spectroscopy David Diaz 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenylbutazone] 3.28 2.30 20.0 UV-vis spectroscopy David Diaz 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenylbutazone] 3.26 2.30 25.0 UV-vis spectroscopy David Diaz 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenylbutazone] 3.21 0.78 30.0 UV-vis spectroscopy David Diaz 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenylbutazone] 3.15 2.30 37.0 UV-vis spectroscopy David Diaz 1998
Comment