2-Phenylacrylonitrile
TL;DR: 2-Phenylacrylonitrile (CAS 495-10-3) is a chemical compound with molecular formula C9H7N and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylprop-2-enenitrile
Also Known As: Atroponitrile, 2-Phenylacrylonitrile, 2-phenylprop-2-enenitrile, alpha-Cyanostyrene, 1-cyano-1-phenylethylene
| Molecular Formula | C9H7N |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.05785 |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 495-10-3 |
|---|---|
| SMILES | C=C(C#N)C1=CC=CC=C1 |
| InChIKey | RLFXJQPKMZNLMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylacrylonitrile (CAS 495-10-3), with molecular formula C9H7N and molecular weight 129.06 g/mol. IUPAC: 2-phenylprop-2-enenitrile.
Chemical Property Profile of 2-Phenylacrylonitrile
Property Insights of 2-Phenylacrylonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylacrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylacrylonitrile has 0 hydrogen bond donor(s) and 1 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 2-Phenylacrylonitrile?
The CAS number of 2-Phenylacrylonitrile is 495-10-3.
What is the molecular formula of 2-Phenylacrylonitrile?
The molecular formula of 2-Phenylacrylonitrile is C9H7N.
What is the molecular weight of 2-Phenylacrylonitrile?
The molecular weight of 2-Phenylacrylonitrile is 129.06 g/mol.
Where can I buy 2-Phenylacrylonitrile?
You can request a quote for 2-Phenylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.