3-Chloro-N-(4-chlorobenzylidene)aniline
TL;DR: 3-Chloro-N-(4-chlorobenzylidene)aniline (CAS 17064-65-2) is a chemical compound with molecular formula C13H9Cl2N and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine
Also Known As: p-chlorobenzylidene-(3-chlorophenyl)-amine, 3-Chloro-N-(4-chlorobenzylidene)aniline, N-(4-Chlorobenzylidene)-3-chloroaniline, 3-chloro-N-(4-chloro-benzyliden)-aniline, (E)-N-(4-Chlorobenzylidene)-3-chloroaniline
| Molecular Formula | C13H9Cl2N |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0112 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 17064-65-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)Cl |
| InChIKey | NNWYYLJSAVGNSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-N-(4-chlorobenzylidene)aniline (CAS 17064-65-2), with molecular formula C13H9Cl2N and molecular weight 249.01 g/mol. IUPAC: N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine.
Chemical Property Profile of 3-Chloro-N-(4-chlorobenzylidene)aniline
Property Insights of 3-Chloro-N-(4-chlorobenzylidene)aniline
The XLogP value of 4.5 indicates that 3-Chloro-N-(4-chlorobenzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 3-Chloro-N-(4-chlorobenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-N-(4-chlorobenzylidene)aniline 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-Chloro-N-(4-chlorobenzylidene)aniline?
The CAS number of 3-Chloro-N-(4-chlorobenzylidene)aniline is 17064-65-2.
What is the molecular formula of 3-Chloro-N-(4-chlorobenzylidene)aniline?
The molecular formula of 3-Chloro-N-(4-chlorobenzylidene)aniline is C13H9Cl2N.
What is the molecular weight of 3-Chloro-N-(4-chlorobenzylidene)aniline?
The molecular weight of 3-Chloro-N-(4-chlorobenzylidene)aniline is 249.01 g/mol.
Where can I buy 3-Chloro-N-(4-chlorobenzylidene)aniline?
You can request a quote for 3-Chloro-N-(4-chlorobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-N-(4-chlorobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-(4-chlorobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.