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Chemical structure of 6-Bromo-2-hydroxy-3-methoxybenzaldehyde

GC34111

6-Bromo-2-hydroxy-3-methoxybenzaldehyde

Also listed as NSC95682 (6-Bromo-2-hydroxy-3-methoxybenzaldehyde)

NSC95682 (6-Bromo-2-hydroxy-3-methoxybenzaldehyde) (NSC95682) is an IRE-1α inhibitor with an IC50 of 0·08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5

ChemicalCAS20035-41-0MW231.04FormulaC8H7BrO3
CAS number
20035-41-0
Molecular weight
231.04
Formula
C8H7BrO3
Solubility
DMSO ： 113 mg/mL (489·09 mM)
InChIKey
JUPJZUTYDWXZAQ-UHFFFAOYSA-N
Catalogue number
GC34111
Brand
GLPBIO
Computed properties PubChem CID 262237 · XLogP 2.1 · TPSA 46.5 Ų · H-bond donors 1
XLogP
2.1
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

SMILES COC1=C(C(=C(C=C1)Br)C=O)O

Computed descriptors from PubChem (CID 262237), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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