4-Amino-3-chloro-5-methylbenzonitrile
TL;DR: 4-Amino-3-chloro-5-methylbenzonitrile (CAS 158296-69-6) 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-amino-3-chloro-5-methylbenzonitrile
Also Known As: 4-amino-3-chloro-5-methylbenzonitrile, 1,2-DICHLOROHEXANE, Benzonitrile, 4-amino-3-chloro-5-methyl-, 4-Amino-3-Chloro-5-Methyl-Benzonitrile, BUTTPARK 20\03-73
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.1023 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 302.34933 |
Chemical Identifiers
| CAS Number | 158296-69-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)Cl)C#N |
Product Overview
4-Amino-3-chloro-5-methylbenzonitrile (CAS 158296-69-6), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: 4-amino-3-chloro-5-methylbenzonitrile.
Chemical Property Profile of 4-Amino-3-chloro-5-methylbenzonitrile
Property Insights of 4-Amino-3-chloro-5-methylbenzonitrile
The XLogP value of 2.1023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-chloro-5-methylbenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 4-Amino-3-chloro-5-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3-chloro-5-methylbenzonitrile 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 4-Amino-3-chloro-5-methylbenzonitrile?
The CAS number of 4-Amino-3-chloro-5-methylbenzonitrile is 158296-69-6.
What is the molecular formula of 4-Amino-3-chloro-5-methylbenzonitrile?
The molecular formula of 4-Amino-3-chloro-5-methylbenzonitrile is C8H7ClN2.
What is the molecular weight of 4-Amino-3-chloro-5-methylbenzonitrile?
The molecular weight of 4-Amino-3-chloro-5-methylbenzonitrile is 166.03 g/mol.
Where can I buy 4-Amino-3-chloro-5-methylbenzonitrile?
You can request a quote for 4-Amino-3-chloro-5-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-chloro-5-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-chloro-5-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.