Vinylphenylacetonitrile
TL;DR: Vinylphenylacetonitrile (CAS 58879-50-8) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethenylphenyl)acetonitrile
Also Known As: Vinylphenylacetonitrile, 2-(3-ethenylphenyl)acetonitrile, (3-Vinylphenyl)acetonitrile, (3-Ethenylphenyl)acetonitrile, Benzeneacetonitrile,4-ethenyl-
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 58879-50-8 |
|---|---|
| SMILES | C=CC1=CC=CC(=C1)CC#N |
| InChIKey | VBRWJLQEFUANAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinylphenylacetonitrile (CAS 58879-50-8), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 2-(3-ethenylphenyl)acetonitrile.
Chemical Property Profile of Vinylphenylacetonitrile
Property Insights of Vinylphenylacetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinylphenylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Vinylphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinylphenylacetonitrile 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 Vinylphenylacetonitrile?
The CAS number of Vinylphenylacetonitrile is 58879-50-8.
What is the molecular formula of Vinylphenylacetonitrile?
The molecular formula of Vinylphenylacetonitrile is C10H9N.
What is the molecular weight of Vinylphenylacetonitrile?
The molecular weight of Vinylphenylacetonitrile is 143.07 g/mol.
Where can I buy Vinylphenylacetonitrile?
You can request a quote for Vinylphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinylphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Vinylphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.