4-Chloro-N-cyano-N-methylaniline
TL;DR: 4-Chloro-N-cyano-N-methylaniline (CAS 7242-42-4) is a chemical compound with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-methylcyanamide
Also Known As: (4-chlorobenzyl)cyanamide, 4-Chloro-N-cyano-N-methylaniline, 4-Chlorophenyl(methyl)cyanamide, N-(4-chlorophenyl)-N-methylcyanamide, (4-chlorophenyl)-methylcyanamide
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.25728 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 273.13867 |
Chemical Identifiers
| CAS Number | 7242-42-4 |
|---|---|
| SMILES | CN(C#N)C1=CC=C(C=C1)Cl |
Product Overview
4-Chloro-N-cyano-N-methylaniline (CAS 7242-42-4), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: (4-chlorophenyl)-methylcyanamide.
Chemical Property Profile of 4-Chloro-N-cyano-N-methylaniline
Property Insights of 4-Chloro-N-cyano-N-methylaniline
The XLogP value of 2.25728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N-cyano-N-methylaniline. With a topological polar surface area (TPSA) of 27.03 Ų, 4-Chloro-N-cyano-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-cyano-N-methylaniline has 0 hydrogen bond donor(s) and 2 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 4-Chloro-N-cyano-N-methylaniline?
The CAS number of 4-Chloro-N-cyano-N-methylaniline is 7242-42-4.
What is the molecular formula of 4-Chloro-N-cyano-N-methylaniline?
The molecular formula of 4-Chloro-N-cyano-N-methylaniline is C8H7ClN2.
What is the molecular weight of 4-Chloro-N-cyano-N-methylaniline?
The molecular weight of 4-Chloro-N-cyano-N-methylaniline is 166.03 g/mol.
Where can I buy 4-Chloro-N-cyano-N-methylaniline?
You can request a quote for 4-Chloro-N-cyano-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-cyano-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-cyano-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.