3-(2-Phenylethenyl)benzonitrile
TL;DR: 3-(2-Phenylethenyl)benzonitrile (CAS 59089-08-6) is a chemical compound with molecular formula C15H11N and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethenyl)benzonitrile
Also Known As: 3-Stilbenecarbonitrile, (E)-, 3-(2-Phenylethen-1-yl)benzonitrile, Benzonitrile, 3-(2-phenylethenyl)-, 3-(2-PHENYLETHENYL)BENZONITRILE, Benzonitrile, 3-(2-phenylethenyl)-, (E)-
| Molecular Formula | C15H11N |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08914 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 59089-08-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=CC(=CC=C2)C#N |
| InChIKey | CWLWKFGHSCEUQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Phenylethenyl)benzonitrile (CAS 59089-08-6), with molecular formula C15H11N and molecular weight 205.09 g/mol. IUPAC: 3-(2-phenylethenyl)benzonitrile.
Chemical Property Profile of 3-(2-Phenylethenyl)benzonitrile
Property Insights of 3-(2-Phenylethenyl)benzonitrile
The XLogP value of 3.9 indicates that 3-(2-Phenylethenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(2-Phenylethenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Phenylethenyl)benzonitrile 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 3-(2-Phenylethenyl)benzonitrile?
The CAS number of 3-(2-Phenylethenyl)benzonitrile is 59089-08-6.
What is the molecular formula of 3-(2-Phenylethenyl)benzonitrile?
The molecular formula of 3-(2-Phenylethenyl)benzonitrile is C15H11N.
What is the molecular weight of 3-(2-Phenylethenyl)benzonitrile?
The molecular weight of 3-(2-Phenylethenyl)benzonitrile is 205.09 g/mol.
Where can I buy 3-(2-Phenylethenyl)benzonitrile?
You can request a quote for 3-(2-Phenylethenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Phenylethenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Phenylethenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.