Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-

Base Information

• Chemical Name: Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
• CAS No.: 60247-61-2
• Molecular Formula: C41H57 Cl N2 O8 S2
• Molecular Weight: 805.48288
• European Community (EC) Number: 262-122-2
• DSSTox Substance ID: DTXSID50866799
• Nikkaji Number: J298.805D
• Mol file: 60247-61-2.mol

Synonyms:60247-61-2;EINECS 262-122-2;Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-;N-(2-Chloro-5-((hexadecylsulphonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulphonyl)phenoxy)-4,4-dimethyl-3-oxovaleramide;N-(2-Chloro-5-(hexadecanesulfonamido)phenyl)-alpha-(4-(4-hydroxyphenylsulfonyl)phenoxy)-alpha-pivaloylacetamide;Pentanamide, N-(2-chloro-5-((hexadecylsulfonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxo-;N-[2-Chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxopentanamide;N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]-4,4-dimethyl-3-oxovaleramide;N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}-4,4-dimethyl-3-oxopentanamide;C41H57ClN2O8S2;SCHEMBL7539504;DTXSID50866799;C41-H57-Cl-N2-O8-S2;Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl) amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl ]phenoxy]-4,4-dimethyl-3-oxo-

Chemical Property of Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-

Chemical Property:

• PKA: 7.20±0.15(Predicted)
• PSA: 176.19000
• Density: 1.224g/cm³
• LogP: 12.98680
• XLogP3: 12.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 25
• Exact Mass: 804.3244868
• Heavy Atom Count: 54
• Complexity: 1310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O

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