N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide , 95+% , 198471-06-6

CAS NO.：198471-06-6

Empirical Formula: C18H16N2O4S

Molecular Weight: 356.4

MDL number:

PRODUCT Properties

• Density: 1.288±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• pka: 5.10±0.10(Predicted)
• InChI: InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21)
• InChIKey: UMBILIGVYYXBRD-UHFFFAOYSA-N
• SMILES: C(NS(C1=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1)(=O)=O)(=O)C

Description and Uses

N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]acetamide is used in the microbial biotransformations of valdecoxib using microbial cultures to predict mammalian drug metabolism.