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Chemical structure of 3-bromo-5-phenyl Salicylic Acid

GC17302

3-bromo-5-phenyl Salicylic Acid

Also known as 3-bromo-2-hydroxy-5-phenylbenzoic acid

3-bromo-5-phenyl Salicylic Acid is a potent and selective inhibitor of human 20α-hydroxysteroid dehydrogenase (AKR1C1), with a Ki value of 4 nM for AKR1C1

ChemicalCAS4906-68-7MW293.1FormulaC13H9BrO3
CAS number
4906-68-7
Molecular weight
293.1
Formula
C13H9BrO3
Solubility
≤0·1mg/ml in ethanol;12·5mg/ml in DMSO;15mg/ml in dimethyl formamide
InChIKey
XVZSXNULHSIRCQ-UHFFFAOYSA-N
Catalogue number
GC17302
Brand
GLPBIO
Computed properties PubChem CID 268734 · XLogP 4 · TPSA 57.5 Ų · H-bond donors 2
XLogP
4
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

SMILES C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O

Computed descriptors from PubChem (CID 268734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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