2-Mesyl-4-nitroaniline
TL;DR: 2-Mesyl-4-nitroaniline (CAS 96-74-2) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-4-nitroaniline
Also Known As: 2-(methylsulfonyl)-4-nitroaniline, 2-Mesyl-4-nitroaniline, 2-methylsulfonyl-4-nitroaniline, Benzenamine, 2-(methylsulfonyl)-4-nitro-, 2-methanesulfonyl-4-nitroaniline
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 96-74-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N |
| InChIKey | KIMXIMWZIRTKCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mesyl-4-nitroaniline (CAS 96-74-2), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: 2-methylsulfonyl-4-nitroaniline.
Chemical Property Profile of 2-Mesyl-4-nitroaniline
Property Insights of 2-Mesyl-4-nitroaniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mesyl-4-nitroaniline. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mesyl-4-nitroaniline. Following Lipinski's Rule of Five, 2-Mesyl-4-nitroaniline 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-Mesyl-4-nitroaniline?
The CAS number of 2-Mesyl-4-nitroaniline is 96-74-2.
What is the molecular formula of 2-Mesyl-4-nitroaniline?
The molecular formula of 2-Mesyl-4-nitroaniline is C7H8N2O4S.
What is the molecular weight of 2-Mesyl-4-nitroaniline?
The molecular weight of 2-Mesyl-4-nitroaniline is 216.02 g/mol.
Where can I buy 2-Mesyl-4-nitroaniline?
You can request a quote for 2-Mesyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mesyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Mesyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.