4-mesyl-N-methyl-2-nitroaniline
TL;DR: 4-mesyl-N-methyl-2-nitroaniline (CAS 30388-44-4) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-methylsulfonyl-2-nitroaniline
Also Known As: n-methyl-4-(methylsulfonyl)-2-nitroaniline, N-Methyl-N-[4-(methylsulfonyl)-2-nitrophenyl]amine, 4-Mesyl- N-methyl-2-nitroaniline, N-methyl-4-methylsulfonyl-2-nitroaniline, 4-methanesulfonyl-N-methyl-2-nitroaniline
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 30388-44-4 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
| InChIKey | SGWXKSCZDKMSLI-UHFFFAOYSA-N |
Product Overview
4-mesyl-N-methyl-2-nitroaniline (CAS 30388-44-4), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: N-methyl-4-methylsulfonyl-2-nitroaniline.
Chemical Property Profile of 4-mesyl-N-methyl-2-nitroaniline
Property Insights of 4-mesyl-N-methyl-2-nitroaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-mesyl-N-methyl-2-nitroaniline. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-mesyl-N-methyl-2-nitroaniline. Following Lipinski's Rule of Five, 4-mesyl-N-methyl-2-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 4-mesyl-N-methyl-2-nitroaniline?
The CAS number of 4-mesyl-N-methyl-2-nitroaniline is 30388-44-4.
What is the molecular formula of 4-mesyl-N-methyl-2-nitroaniline?
The molecular formula of 4-mesyl-N-methyl-2-nitroaniline is C8H10N2O4S.
What is the molecular weight of 4-mesyl-N-methyl-2-nitroaniline?
The molecular weight of 4-mesyl-N-methyl-2-nitroaniline is 230.04 g/mol.
Where can I buy 4-mesyl-N-methyl-2-nitroaniline?
You can request a quote for 4-mesyl-N-methyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-mesyl-N-methyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-mesyl-N-methyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.