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Chemical structure of Bromoenol lactone

GC11021

Bromoenol lactone

Also known as (6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one

Inhibitor of myocardial cytosolic calcium-independent phospholipase A2 (iPLA2)

ChemicalCAS88070-98-8MW317.2FormulaC16H13BrO2
CAS number
88070-98-8
Molecular weight
317.2
Formula
C16H13BrO2
Solubility
≤2mg/ml in ethanol;25mg/ml in DMSO;50mg/ml in dimethyl formamide
InChIKey
BYUCSFWXCMTYOI-ZRDIBKRKSA-N
Catalogue number
GC11021
Brand
GLPBIO
Computed properties PubChem CID 5940264 · XLogP 4.2 · TPSA 26.3 Ų · H-bond donors 0
XLogP
4.2
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

SMILES C1C/C(=C\Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32

Computed descriptors from PubChem (CID 5940264), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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