(E)-6-(3-(benzo[d][1,3]dioxol-5-yl)-2-(4-bromobenzamido)acrylamido)hexanoic acid structure

(E)-6-(3-(benzo[d][1,3]dioxol-5-yl)-2-(4-bromobenzamido)acrylamido)hexanoic acid

6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid

Also Known As: BAS 02786919|(E)-6-(3-(benzo[d][1,3]dioxol-5-yl)-2-(4-bromobenzamido)acrylamido)hexanoic acid|6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid

CAS: 373370-80-0
Molecular Formula C23H23BrN2O6
Molecular Weight 502.07394 g/mol
LogP 3.7099
Topological Polar Surface Area 113.96 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 502.07394
Monoisotopic Mass 502.07394
Heavy Atoms 32
Complexity 1019.6467

Chemical Identifiers

CAS Number 373370-80-0
SMILES C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)C3=CC=C(C=C3)Br

Product Overview

(E)-6-(3-(benzo[d][1,3]dioxol-5-yl)-2-(4-bromobenzamido)acrylamido)hexanoic acid (CAS 373370-80-0), with molecular formula C23H23BrN2O6 and molecular weight 502.07394 g/mol. IUPAC: 6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid.

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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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