2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile
TL;DR: 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile (CAS 338402-95-2) is a chemical compound with molecular formula C15H9Cl3N2 and molecular weight 321.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile, 2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile, 4-Chloro-I+/--[[(3,5-dichlorophenyl)amino]methylene]benzeneacetonitrile
| Molecular Formula | C15H9Cl3N2 |
|---|---|
| Molecular Weight | 321.98 g/mol |
| LogP | 5.62338 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.98312 |
| Heavy Atoms | 20 |
| Complexity | 665.00507 |
Chemical Identifiers
| CAS Number | 338402-95-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CNC2=CC(=CC(=C2)Cl)Cl)C#N)Cl |
Product Overview
2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile (CAS 338402-95-2), with molecular formula C15H9Cl3N2 and molecular weight 321.98 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile
Property Insights of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile
The XLogP value of 5.62338 indicates that 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile is 338402-95-2.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile is C15H9Cl3N2.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile is 321.98 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(3,5-dichloroanilino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.