5-Chloro-2-methyl-3-nitroaniline
TL;DR: 5-Chloro-2-methyl-3-nitroaniline (CAS 219312-44-4) is a chemical compound with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-3-nitroaniline
Also Known As: 5-chloro-2-methyl-3-nitroaniline, 2-Amino-4-chloro-6-nitrotoluene, 5-chloro-2-methyl-3-nitro-aniline, 2-amino-4-chloro-6-nitro-toluene, Benzenamine,5-chloro-2-methyl-3-nitro-
| Molecular Formula | C7H7ClN2O2 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 2.13882 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.0196 |
| Heavy Atoms | 12 |
| Complexity | 338.4234 |
Chemical Identifiers
| CAS Number | 219312-44-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])Cl)N |
Product Overview
5-Chloro-2-methyl-3-nitroaniline (CAS 219312-44-4), with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol. IUPAC: 5-chloro-2-methyl-3-nitroaniline.
Chemical Property Profile of 5-Chloro-2-methyl-3-nitroaniline
Property Insights of 5-Chloro-2-methyl-3-nitroaniline
The XLogP value of 2.13882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methyl-3-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-methyl-3-nitroaniline. Following Lipinski's Rule of Five, 5-Chloro-2-methyl-3-nitroaniline has 1 hydrogen bond donor(s) and 3 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-methyl-3-nitroaniline?
The CAS number of 5-Chloro-2-methyl-3-nitroaniline is 219312-44-4.
What is the molecular formula of 5-Chloro-2-methyl-3-nitroaniline?
The molecular formula of 5-Chloro-2-methyl-3-nitroaniline is C7H7ClN2O2.
What is the molecular weight of 5-Chloro-2-methyl-3-nitroaniline?
The molecular weight of 5-Chloro-2-methyl-3-nitroaniline is 186.02 g/mol.
Where can I buy 5-Chloro-2-methyl-3-nitroaniline?
You can request a quote for 5-Chloro-2-methyl-3-nitroaniline 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-methyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.