celecoxib

Properties

MW	HBA	HBD	LogP	TPSA	Rot.	Comp.	Fsp3C	Brutto formula
381.37	4	1	5.30	86.35999999999999	4	130	0.12	C17H14F3N3O2S

Availability

Suppliers	Supplier IDs	Storage	Storage ID	Quantity	Class	Added
			JN_E_1	None		Jan. 1, 2023

Bar codes

Plate barcode	Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib]	3.95		7.0	25.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib]	2.54		7.0	37.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib]	2.04		7.0	45.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[celecoxib]	3.95		7.0	25.0	HPLC, NMR spectroscopy	Cinzia AnnaVentura 2006
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib]	2.15		7.0	25.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib]	2.56		7.0	37.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib]	2.84		7.0	45.0	NMR spectroscopy	Cinzia AnnaVentura 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](2).[celecoxib]	2.15		7.0	25.0	HPLC, NMR spectroscopy	Cinzia AnnaVentura 2006

Comment