4-[2-oxo-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoic Acid

Base Information

• Chemical Name: 4-[2-oxo-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoic Acid
• CAS No.: 408501-38-2
• Molecular Formula: C27H28O5S
• DSSTox Substance ID: DTXSID30430952
• Nikkaji Number: J1.449.401D
• Wikidata: Q82244705
• Pharos Ligand ID: QF49KJMZBLDU
• ChEMBL ID: CHEMBL29838

Synonyms:CHEMBL29838;4-[2-oxo-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoic Acid;408501-38-2;DTXSID30430952;BDBM50110881;PD119224;4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)benzoic acid;4-[3-[4-[(5-Phenylpentyl)thio]phenoxy]-2-oxopropoxy]benzoic acid;4-{2-Oxo-3-[4-(5-phenyl-pentylsulfanyl)-phenoxy]-propoxy}-benzoic acid

Chemical Property of 4-[2-oxo-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoic Acid

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 464.16574516
• Heavy Atom Count: 33
• Complexity: 561

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)COC3=CC=C(C=C3)C(=O)O

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