2-Methyl-4-nitrobenzenesulfonic acid
TL;DR: 2-Methyl-4-nitrobenzenesulfonic acid (CAS 7434-70-0) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitrobenzenesulfonic acid
Also Known As: 2-methyl-4-nitrobenzenesulfonic acid, 5-Nitro-o-toluenesulfonic acid, 3-Nitrotoluene-6-sulfonic acid, Benzenesulfonic acid, 2-methyl-4-nitro-, o-Toluenesulfonic acid, 4-nitro-
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 7434-70-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | XCSZUHHAYFILGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-nitrobenzenesulfonic acid (CAS 7434-70-0), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: 2-methyl-4-nitrobenzenesulfonic acid.
Chemical Property Profile of 2-Methyl-4-nitrobenzenesulfonic acid
Property Insights of 2-Methyl-4-nitrobenzenesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitrobenzenesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Methyl-4-nitrobenzenesulfonic acid 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-Methyl-4-nitrobenzenesulfonic acid?
The CAS number of 2-Methyl-4-nitrobenzenesulfonic acid is 7434-70-0.
What is the molecular formula of 2-Methyl-4-nitrobenzenesulfonic acid?
The molecular formula of 2-Methyl-4-nitrobenzenesulfonic acid is C7H7NO5S.
What is the molecular weight of 2-Methyl-4-nitrobenzenesulfonic acid?
The molecular weight of 2-Methyl-4-nitrobenzenesulfonic acid is 217.00 g/mol.
Where can I buy 2-Methyl-4-nitrobenzenesulfonic acid?
You can request a quote for 2-Methyl-4-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.