2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile
TL;DR: 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile (CAS 869952-63-6) is a chemical compound with molecular formula C16H12ClN and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile
Also Known As: 2-(2-chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile, 2-Chloro-alpha-[(3-methylphenyl)methylene]benzeneacetonitrile, 2-Chloro-I+/--[(3-methylphenyl)methylene]benzeneacetonitrile
| Molecular Formula | C16H12ClN |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 4.7126 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06583 |
| Heavy Atoms | 18 |
| Complexity | 635.54034 |
Chemical Identifiers
| CAS Number | 869952-63-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C=C(C#N)C2=CC=CC=C2Cl |
Product Overview
2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile (CAS 869952-63-6), with molecular formula C16H12ClN and molecular weight 253.07 g/mol. IUPAC: 2-(2-chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile
Property Insights of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile
The XLogP value of 4.7126 indicates that 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile 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-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile?
The CAS number of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile is 869952-63-6.
What is the molecular formula of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile?
The molecular formula of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile is C16H12ClN.
What is the molecular weight of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile?
The molecular weight of 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile is 253.07 g/mol.
Where can I buy 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile?
You can request a quote for 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-3-(3-methylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.