5-Chloro-2-(methylamino)benzonitrile
TL;DR: 5-Chloro-2-(methylamino)benzonitrile (CAS 85702-70-1) 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.
5-chloro-2-(methylamino)benzonitrile
Also Known As: 5-Chloro-2-(methylamino)benzonitrile, 5-Chloro-2-methylaminobenzonitrile, EINECS 288-260-3, Benzonitrile,5-chloro-2-(methylamino)-, 2-methylamino-5-chlorobenzonitrile
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.25338 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 85702-70-1 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)Cl)C#N |
Product Overview
5-Chloro-2-(methylamino)benzonitrile (CAS 85702-70-1), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: 5-chloro-2-(methylamino)benzonitrile.
Chemical Property Profile of 5-Chloro-2-(methylamino)benzonitrile
Property Insights of 5-Chloro-2-(methylamino)benzonitrile
The XLogP value of 2.25338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(methylamino)benzonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 5-Chloro-2-(methylamino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(methylamino)benzonitrile has 1 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 5-Chloro-2-(methylamino)benzonitrile?
The CAS number of 5-Chloro-2-(methylamino)benzonitrile is 85702-70-1.
What is the molecular formula of 5-Chloro-2-(methylamino)benzonitrile?
The molecular formula of 5-Chloro-2-(methylamino)benzonitrile is C8H7ClN2.
What is the molecular weight of 5-Chloro-2-(methylamino)benzonitrile?
The molecular weight of 5-Chloro-2-(methylamino)benzonitrile is 166.03 g/mol.
Where can I buy 5-Chloro-2-(methylamino)benzonitrile?
You can request a quote for 5-Chloro-2-(methylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(methylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(methylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.