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Chemical structure of Diarylpropionitrile(DPN)

GC17688

Diarylpropionitrile(DPN)

Also known as 2,3-bis(4-hydroxyphenyl)propanenitrile

Diarylpropionitrile(DPN) (Diarylpropionitrile) is a non-steroidal estrogen receptor β (ERβ) selective ligand, with an EC50 of 0·85 nM

ChemicalCAS1428-67-7MW239.27FormulaC15H13NO2
CAS number
1428-67-7
Molecular weight
239.27
Formula
C15H13NO2
Solubility
DMSO : 100 mg/mL (417·94 mM)
InChIKey
GHZHWDWADLAOIQ-UHFFFAOYSA-N
Catalogue number
GC17688
Brand
GLPBIO
Computed properties PubChem CID 102614 · XLogP 2.9 · TPSA 64.3 Ų · H-bond donors 2
XLogP
2.9
TPSA
64.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

SMILES C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O

Computed descriptors from PubChem (CID 102614), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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