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DPN

CAT: 0931-T7644-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7644-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1428-67-7
Target
Autophagy, Estrogen Receptor/ERR, Apoptosis, Estrogen/progestogen Receptor
Related Pathways
Autophagy, Endocrinology/Hormones, Apoptosis
Purity
0.9901
Bioactivity
DPN (Diarylpropionitrile) is an selective agonist of estrogen receptor β (ERβ) .
Smiles
Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1
Molecular Formula
C15H13NO2
Molecular Weight
239.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-bis(4-Hydroxyphenyl)propionitrile

2,3-bis(4-hydroxyphenyl)propionitrile is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a nitrile and a member of phenols.

CAS Number1428-67-7
PubChem CID102614
IUPAC Name2,3-bis(4-hydroxyphenyl)propanenitrile
Molecular FormulaC15H13NO2
Molecular Weight239.27
XLogP2.9
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity293
SMILES
C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
InChIKey
GHZHWDWADLAOIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-bis(4-Hydroxyphenyl)propionitrile
CAS: 1428-67-7
CID: 102614
Formula: C15H13NO2
MW: 239.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.27
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass239.094628657
Monoisotopic Mass239.094628657
Topological Polar Surface Area64.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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