3-Hydroxy-2-phenylacrylonitrile
TL;DR: 3-Hydroxy-2-phenylacrylonitrile (CAS 22252-92-2) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-phenylprop-2-enenitrile
Also Known As: 3-Hydroxy-2-phenylacrylonitrile, 3-hydroxy-2-phenylprop-2-enenitrile, 2-CYANO-2-PHENYLVINYLALCOHOL, 3-oxo-2-phenylpropionitrile, (2Z)-3-Hydroxy-2-phenylacrylonitrile
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22252-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CO)C#N |
| InChIKey | GQNBRISQKUALEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-phenylacrylonitrile (CAS 22252-92-2), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 3-hydroxy-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3-Hydroxy-2-phenylacrylonitrile
Property Insights of 3-Hydroxy-2-phenylacrylonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-phenylacrylonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxy-2-phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-phenylacrylonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-2-phenylacrylonitrile?
The CAS number of 3-Hydroxy-2-phenylacrylonitrile is 22252-92-2.
What is the molecular formula of 3-Hydroxy-2-phenylacrylonitrile?
The molecular formula of 3-Hydroxy-2-phenylacrylonitrile is C9H7NO.
What is the molecular weight of 3-Hydroxy-2-phenylacrylonitrile?
The molecular weight of 3-Hydroxy-2-phenylacrylonitrile is 145.05 g/mol.
Where can I buy 3-Hydroxy-2-phenylacrylonitrile?
You can request a quote for 3-Hydroxy-2-phenylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-phenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.