2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid

Base Information

• Chemical Name: 2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid
• CAS No.: 887945-96-2
• Molecular Formula: C16H16N2O4S
• Molecular Weight: 332.37400
• UNII: OUZ34W2CFD
• Nikkaji Number: J3.359.912I
• Wikidata: Q27895257
• Mol file: 887945-96-2.mol

Synonyms:887945-96-2;2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid;3-Hydroxyfebuxostat, (+/-)-;OUZ34W2CFD;2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid;2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methyl-5-thiazolecarboxylic acid;5-Thiazolecarboxylic acid, 2-(3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methyl-;2-[3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid;Febuxostat (67m-1);UNII-OUZ34W2CFD;(+/-)-3-hydroxyfebuxostat;SCHEMBL436720;FEBUXOSTAT METABOLITE 67M-1;Q27895257;2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylicacid

Chemical Property of 2-(3-Cyano-4-(3-hydroxy-2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid

Chemical Property:

• PSA: 131.68000
• LogP: 2.69558
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 332.08307817
• Heavy Atom Count: 23
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Febuxostat67M-1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)CO)C#N)C(=O)O
• Uses: Febuxostat 67M-1 is an inhibitor of xanthine oxidase. It reduces uric acid production in the body and also used to reduce the risk of gout or kidney stone formation.