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Chemical structure of β-Naphthoflavone-CH2-Br

GC70184

β-Naphthoflavone-CH2-Br

Also known as 3-[4-(bromomethyl)phenyl]benzo[f]chromen-1-one

Beta-naphthoflavone-CH2-Br is an aryl hydrocarbon receptor (AhR) ligand· It is used in the synthesis of PROTAC Beta-NF-JQ1

ChemicalCAS1282513-77-2MW365.22FormulaC20H13BrO2
CAS number
1282513-77-2
Molecular weight
365.22
Formula
C20H13BrO2
InChIKey
JKXPXUCDLPRQNA-UHFFFAOYSA-N
Catalogue number
GC70184
Brand
GLPBIO
Computed properties PubChem CID 146014475 · XLogP 5 · TPSA 26.3 Ų · H-bond donors 0
XLogP
5
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23

SMILES C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=C(C=C4)CBr

Computed descriptors from PubChem (CID 146014475), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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