4'-Methyl-3'-nitromethanesulfonanilide
TL;DR: 4'-Methyl-3'-nitromethanesulfonanilide (CAS 80259-08-1) 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-(4-methyl-3-nitrophenyl)methanesulfonamide
Also Known As: N-(4-methyl-3-nitrophenyl)methanesulfonamide, NILEBLUECHLORIDE, Maybridge1_000392, 4'-METHYL-3'-NITROMETHANESULFONANILIDE, 3-nitro-4-methylmethanesulfonanilide
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 1.27472 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 495.3632 |
Chemical Identifiers
| CAS Number | 80259-08-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NS(=O)(=O)C)[N+](=O)[O-] |
Product Overview
4'-Methyl-3'-nitromethanesulfonanilide (CAS 80259-08-1), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: N-(4-methyl-3-nitrophenyl)methanesulfonamide.
Chemical Property Profile of 4'-Methyl-3'-nitromethanesulfonanilide
Property Insights of 4'-Methyl-3'-nitromethanesulfonanilide
The XLogP value of 1.27472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methyl-3'-nitromethanesulfonanilide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methyl-3'-nitromethanesulfonanilide. Following Lipinski's Rule of Five, 4'-Methyl-3'-nitromethanesulfonanilide has 1 hydrogen bond donor(s) and 4 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'-Methyl-3'-nitromethanesulfonanilide?
The CAS number of 4'-Methyl-3'-nitromethanesulfonanilide is 80259-08-1.
What is the molecular formula of 4'-Methyl-3'-nitromethanesulfonanilide?
The molecular formula of 4'-Methyl-3'-nitromethanesulfonanilide is C8H10N2O4S.
What is the molecular weight of 4'-Methyl-3'-nitromethanesulfonanilide?
The molecular weight of 4'-Methyl-3'-nitromethanesulfonanilide is 230.04 g/mol.
Where can I buy 4'-Methyl-3'-nitromethanesulfonanilide?
You can request a quote for 4'-Methyl-3'-nitromethanesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methyl-3'-nitromethanesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methyl-3'-nitromethanesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.