m-Chlorobenzylidene-p-chlorophenylacetonitrile
TL;DR: m-Chlorobenzylidene-p-chlorophenylacetonitrile (CAS 95145-65-6) is a chemical compound with molecular formula C15H9Cl2N and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
Also Known As: KST-1A9108, m-Chlorobenzylidene-p-chlorophenylacetonitrile, (2z)-3-(3-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile, A1-21246, (Z)-3-(3-chloro-phenyl)-2-(4-chloro-phenyl)-acrylonitrile
| Molecular Formula | C15H9Cl2N |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 5.05758 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0112 |
| Heavy Atoms | 18 |
| Complexity | 621.687 |
Chemical Identifiers
| CAS Number | 95145-65-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)/C=C(\C#N)/C2=CC=C(C=C2)Cl |
Product Overview
m-Chlorobenzylidene-p-chlorophenylacetonitrile (CAS 95145-65-6), with molecular formula C15H9Cl2N and molecular weight 273.01 g/mol. IUPAC: (Z)-3-(3-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of m-Chlorobenzylidene-p-chlorophenylacetonitrile
Property Insights of m-Chlorobenzylidene-p-chlorophenylacetonitrile
The XLogP value of 5.05758 indicates that m-Chlorobenzylidene-p-chlorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, m-Chlorobenzylidene-p-chlorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Chlorobenzylidene-p-chlorophenylacetonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of m-Chlorobenzylidene-p-chlorophenylacetonitrile?
The CAS number of m-Chlorobenzylidene-p-chlorophenylacetonitrile is 95145-65-6.
What is the molecular formula of m-Chlorobenzylidene-p-chlorophenylacetonitrile?
The molecular formula of m-Chlorobenzylidene-p-chlorophenylacetonitrile is C15H9Cl2N.
What is the molecular weight of m-Chlorobenzylidene-p-chlorophenylacetonitrile?
The molecular weight of m-Chlorobenzylidene-p-chlorophenylacetonitrile is 273.01 g/mol.
Where can I buy m-Chlorobenzylidene-p-chlorophenylacetonitrile?
You can request a quote for m-Chlorobenzylidene-p-chlorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Chlorobenzylidene-p-chlorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for m-Chlorobenzylidene-p-chlorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.