AC1L4JSS structure

AC1L4JSS

(2R,3S)-3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one

Also Known As: KST-1A4222|Valerophenone, 3-(p-chlorophenyl)-4-methyl-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro-|erythro-3-(p-Chlorophenyl)-4-methyl-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)valerophenone|(2r,3s)-3-(4-chlorophenyl)-4-methyl-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one|(2R,3S)-3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one|1-Pentanone, 3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-|1-Pentanone,3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-,(R*,S*)- (9CI)|3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one, (2R,3S)-rel-

CAS: 3615-39-2
Molecular Formula C30H34ClNO2
Molecular Weight 475.2278 g/mol
LogP 7.4
Topological Polar Surface Area 29.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 10
Exact Mass 475.2278
Monoisotopic Mass 475.2278
Heavy Atoms 34
Complexity 597.0

Chemical Identifiers

CAS Number 3615-39-2
SMILES CC(C)[C@H](C1=CC=C(C=C1)Cl)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4
InChIKey YLSBKWISHJPURH-WDYNHAJCSA-N

Product Overview

AC1L4JSS (CAS 3615-39-2), with molecular formula C30H34ClNO2 and molecular weight 475.2278 g/mol. IUPAC: (2R,3S)-3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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