3-(2-Chlorophenyl)-2-phenylacrylonitrile
TL;DR: 3-(2-Chlorophenyl)-2-phenylacrylonitrile (CAS 42172-48-5) is a chemical compound with molecular formula C15H10ClN and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile
Also Known As: 3-(2-Chlorophenyl)-2-phenylacrylonitrile, KST-1A0311, (2z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile, 2-Phenyl-3-(2-chlorophenyl)acrylonitrile, 3-(2-chlorophenyl)-2-phenylprop-2-enenitrile
| Molecular Formula | C15H10ClN |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05017 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 42172-48-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2Cl)/C#N |
| InChIKey | GXNYLJUZCHBIMY-GXDHUFHOSA-N |
Product Overview
3-(2-Chlorophenyl)-2-phenylacrylonitrile (CAS 42172-48-5), with molecular formula C15H10ClN and molecular weight 239.05 g/mol. IUPAC: (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3-(2-Chlorophenyl)-2-phenylacrylonitrile
Property Insights of 3-(2-Chlorophenyl)-2-phenylacrylonitrile
The XLogP value of 4.3 indicates that 3-(2-Chlorophenyl)-2-phenylacrylonitrile 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-Chlorophenyl)-2-phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-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 3-(2-Chlorophenyl)-2-phenylacrylonitrile?
The CAS number of 3-(2-Chlorophenyl)-2-phenylacrylonitrile is 42172-48-5.
What is the molecular formula of 3-(2-Chlorophenyl)-2-phenylacrylonitrile?
The molecular formula of 3-(2-Chlorophenyl)-2-phenylacrylonitrile is C15H10ClN.
What is the molecular weight of 3-(2-Chlorophenyl)-2-phenylacrylonitrile?
The molecular weight of 3-(2-Chlorophenyl)-2-phenylacrylonitrile is 239.05 g/mol.
Where can I buy 3-(2-Chlorophenyl)-2-phenylacrylonitrile?
You can request a quote for 3-(2-Chlorophenyl)-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-(2-Chlorophenyl)-2-phenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-2-phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.