AC1O62NB structure

AC1O62NB

(E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one

Also Known As: 5-23-02-00115 (Beilstein Handbook Reference)|DL-3-(4-Fluorophenyl)-1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-2-propen-1-one|2-Propen-1-one, 3-(4-fluorophenyl)-1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-,(+-)-|(E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one

CAS: 36115-53-4
Molecular Formula C28H29FN2O3
Molecular Weight 460.21622 g/mol
LogP 4.2837
Topological Polar Surface Area 53.01 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 9
Exact Mass 460.21622
Monoisotopic Mass 460.21622
Heavy Atoms 34
Complexity 1076.8988

Chemical Identifiers

CAS Number 36115-53-4
SMILES C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)F)O)C4=CC=CC=C4

Product Overview

AC1O62NB (CAS 36115-53-4), with molecular formula C28H29FN2O3 and molecular weight 460.21622 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-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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