Pemaglitazar

Base Information

• Chemical Name: Pemaglitazar
• CAS No.: 496050-39-6
• Molecular Formula: C18H17F3O3S
• Molecular Weight: 370.38600
• UNII: 5MSR134WO2
• ChEMBL ID: CHEMBL2107768
• NCI Thesaurus Code: C87621
• Wikidata: Q27262573
• Mol file: 496050-39-6.mol

Synonyms:Pemaglitazar;Pemaglitazar [INN];496050-39-6;5MSR134WO2;(2S)-4-(2-methylphenyl)sulfanyl-2-[4-(trifluoromethyl)phenoxy]butanoic acid;UNII-5MSR134WO2;SCHEMBL3971139;CHEMBL2107768;YDTVNTDYQGJBOX-HNNXBMFYSA-N;Q27262573;(2S)-4-((2-METHYLPHENYL)SULFANYL)-2-(4-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID;(2S)-4-((2-Methylphenyl)sulfanyl)-2-(4-(trifluromethyl)phenoxy)butanoic acid

Chemical Property of Pemaglitazar

Chemical Property:

• PSA: 71.83000
• LogP: 5.02820
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 370.08505006
• Heavy Atom Count: 25
• Complexity: 422

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1SCCC(C(=O)O)OC2=CC=C(C=C2)C(F)(F)F
• Isomeric SMILES: CC1=CC=CC=C1SCC[C@@H](C(=O)O)OC2=CC=C(C=C2)C(F)(F)F