2-Methyl-4,6-dinitroaniline
TL;DR: 2-Methyl-4,6-dinitroaniline (CAS 7477-94-3) is a chemical compound with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,6-dinitroaniline
Also Known As: 2-methyl-4,6-dinitroaniline, 2-methyl-4,6-dinitro-aniline, 4,6-Dinitro-o-toluidin, 4,6-dinitro-o-toluidine, 6-methyl-2,4-dinitroaniline
| Molecular Formula | C7H7N3O4 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.04366 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7477-94-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CUUJSCZRXAFXIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,6-dinitroaniline (CAS 7477-94-3), with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol. IUPAC: 2-methyl-4,6-dinitroaniline.
Chemical Property Profile of 2-Methyl-4,6-dinitroaniline
Property Insights of 2-Methyl-4,6-dinitroaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4,6-dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4,6-dinitroaniline. Following Lipinski's Rule of Five, 2-Methyl-4,6-dinitroaniline has 1 hydrogen bond donor(s) and 5 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-Methyl-4,6-dinitroaniline?
The CAS number of 2-Methyl-4,6-dinitroaniline is 7477-94-3.
What is the molecular formula of 2-Methyl-4,6-dinitroaniline?
The molecular formula of 2-Methyl-4,6-dinitroaniline is C7H7N3O4.
What is the molecular weight of 2-Methyl-4,6-dinitroaniline?
The molecular weight of 2-Methyl-4,6-dinitroaniline is 197.04 g/mol.
Where can I buy 2-Methyl-4,6-dinitroaniline?
You can request a quote for 2-Methyl-4,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.