2,4,6-Trinitro-N-(methylnitro)-m-toluidine
TL;DR: 2,4,6-Trinitro-N-(methylnitro)-m-toluidine (CAS 43072-20-4) is a chemical compound with molecular formula C8H7N5O8 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(3-methyl-2,4,6-trinitrophenyl)nitramide
Also Known As: 2,4,6-Trinitro-N-(methylnitro)-m-toluidine, N-methyl-N-(3-methyl-2,4,6-trinitrophenyl)nitramide
| Molecular Formula | C8H7N5O8 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.02945 |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 43072-20-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OUUSHEOSJOFZTA-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitro-N-(methylnitro)-m-toluidine (CAS 43072-20-4), with molecular formula C8H7N5O8 and molecular weight 301.03 g/mol. IUPAC: N-methyl-N-(3-methyl-2,4,6-trinitrophenyl)nitramide.
Chemical Property Profile of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine
Property Insights of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitro-N-(methylnitro)-m-toluidine. The TPSA of 187.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-N-(methylnitro)-m-toluidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-N-(methylnitro)-m-toluidine has 0 hydrogen bond donor(s) and 9 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 2,4,6-Trinitro-N-(methylnitro)-m-toluidine?
The CAS number of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine is 43072-20-4.
What is the molecular formula of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine?
The molecular formula of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine is C8H7N5O8.
What is the molecular weight of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine?
The molecular weight of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine is 301.03 g/mol.
Where can I buy 2,4,6-Trinitro-N-(methylnitro)-m-toluidine?
You can request a quote for 2,4,6-Trinitro-N-(methylnitro)-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitro-N-(methylnitro)-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitro-N-(methylnitro)-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.