4-Methylsulfonyl-2,6-dinitroaniline
TL;DR: 4-Methylsulfonyl-2,6-dinitroaniline (CAS 42760-39-4) is a chemical compound with molecular formula C7H7N3O6S and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2,6-dinitroaniline
Also Known As: 4-methylsulfonyl-2,6-dinitroaniline, 4-(methylsulfonyl)-2,6-dinitroaniline, 4-methylsulfonyl-2,6-dinitroanilin, 4-methanesulfonyl-2,6-dinitroaniline, 4-methanesulfonyl-2,6-dinitro-aniline
| Molecular Formula | C7H7N3O6S |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 0.4887 |
| Topological Polar Surface Area | 146.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.00555 |
| Heavy Atoms | 17 |
| Complexity | 573.0302 |
Chemical Identifiers
| CAS Number | 42760-39-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-] |
Product Overview
4-Methylsulfonyl-2,6-dinitroaniline (CAS 42760-39-4), with molecular formula C7H7N3O6S and molecular weight 261.01 g/mol. IUPAC: 4-methylsulfonyl-2,6-dinitroaniline.
Chemical Property Profile of 4-Methylsulfonyl-2,6-dinitroaniline
Property Insights of 4-Methylsulfonyl-2,6-dinitroaniline
The XLogP value of 0.4887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfonyl-2,6-dinitroaniline. The TPSA of 146.44 Ų indicates high polarity, suggesting 4-Methylsulfonyl-2,6-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 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 4-Methylsulfonyl-2,6-dinitroaniline?
The CAS number of 4-Methylsulfonyl-2,6-dinitroaniline is 42760-39-4.
What is the molecular formula of 4-Methylsulfonyl-2,6-dinitroaniline?
The molecular formula of 4-Methylsulfonyl-2,6-dinitroaniline is C7H7N3O6S.
What is the molecular weight of 4-Methylsulfonyl-2,6-dinitroaniline?
The molecular weight of 4-Methylsulfonyl-2,6-dinitroaniline is 261.01 g/mol.
Where can I buy 4-Methylsulfonyl-2,6-dinitroaniline?
You can request a quote for 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 4-Methylsulfonyl-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfonyl-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.