N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline
TL;DR: N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline (CAS 82366-49-2) is a chemical compound with molecular formula C8H9N3O6S and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-methylsulfonyl-2,6-dinitroaniline
Also Known As: N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline, 4-methanesulfonyl-N-methyl-2,6-dinitroaniline, N-methyl-4-methylsulfonyl-2,6-dinitroaniline, N-methyl-4-methylsulfonyl-2,6-dinitro-aniline
| Molecular Formula | C8H9N3O6S |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 0.9482 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0212 |
| Heavy Atoms | 18 |
| Complexity | 588.7146 |
Chemical Identifiers
| CAS Number | 82366-49-2 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline (CAS 82366-49-2), with molecular formula C8H9N3O6S and molecular weight 275.02 g/mol. IUPAC: N-methyl-4-methylsulfonyl-2,6-dinitroaniline.
Chemical Property Profile of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline
Property Insights of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline
The XLogP value of 0.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline. Following Lipinski's Rule of Five, N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline has 1 hydrogen bond donor(s) and 7 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 N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline?
The CAS number of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline is 82366-49-2.
What is the molecular formula of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline?
The molecular formula of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline is C8H9N3O6S.
What is the molecular weight of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline?
The molecular weight of N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline is 275.02 g/mol.
Where can I buy N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline?
You can request a quote for N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-(methylsulfonyl)-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.