DPN

Chemical Information
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 Number | 1428-67-7 |
| PubChem CID | 102614 |
| IUPAC Name | 2,3-bis(4-hydroxyphenyl)propanenitrile |
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.27 |
| XLogP | 2.9 |
| Topological Polar Surface Area | 64.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 293 |
| Property | Value |
|---|---|
| Molecular Weight | 239.27 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 239.094628657 |
| Monoisotopic Mass | 239.094628657 |
| Topological Polar Surface Area | 64.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 293 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
| Catalog | Name |
|---|---|
| T72982-01 | DPNB-ABT594 |
| T41209 | DPNB-ABT 594 |
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