![2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile structure](/static/products/945/945367-47-5.png)
2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile
TL;DR: 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile (CAS 945367-47-5) is a chemical compound with molecular formula C14H10ClN3O2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylanilino)-5-nitrobenzonitrile
Also Known As: 2-[(4-chloro-2-methylphenyl)amino]-5-nitrobenzonitrile, 2-(4-chloro-2-methylanilino)-5-nitrobenzonitrile, 2-((4-Chloro-2-methylphenyl)amino)-5-nitrobenzonitrile, 2-(4-chloro-2-methyl-anilino)-5-nitro-benzonitrile, 2-(4-Chloro-2-methylphenyl)amino-5-nitrobenzonitrile
| Molecular Formula | C14H10ClN3O2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 4.1719 |
| Topological Polar Surface Area | 78.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.04614 |
| Heavy Atoms | 20 |
| Complexity | 722.84436 |
Chemical Identifiers
| CAS Number | 945367-47-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile (CAS 945367-47-5), with molecular formula C14H10ClN3O2 and molecular weight 287.05 g/mol. IUPAC: 2-(4-chloro-2-methylanilino)-5-nitrobenzonitrile.
Chemical Property Profile of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile
Property Insights of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile
The XLogP value of 4.1719 indicates that 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile has 1 hydrogen bond donor(s) and 4 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 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile?
The CAS number of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile is 945367-47-5.
What is the molecular formula of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile?
The molecular formula of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile is C14H10ClN3O2.
What is the molecular weight of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile?
The molecular weight of 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile is 287.05 g/mol.
Where can I buy 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile?
You can request a quote for 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chloro-2-methylphenyl)amino]-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.