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Chemical structure of Tazofelone

GC64025

Tazofelone

Also known as 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one

Tazofelone (LY 213829) is a cyclooxygenase-II (COX-II) inhibitor· Tazofelone transform into sulfoxide and quinol metabolites is primarily mediated by CYP3A· Tazofelone can be used for the research of inflammatory bowel disease

ChemicalCAS107902-67-0MW321.48FormulaC18H27NO2S
CAS number
107902-67-0
Molecular weight
321.48
Formula
C18H27NO2S
Solubility
DMSO ： 100 mg/mL (311·06 mM; Need ultrasonic)
InChIKey
ILMMRHUILQOQGP-UHFFFAOYSA-N
Catalogue number
GC64025
Brand
GLPBIO
Computed properties PubChem CID 68745 · XLogP 5.1 · TPSA 74.6 Ų · H-bond donors 2
XLogP
5.1
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NCS2

Computed descriptors from PubChem (CID 68745), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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