4-Methyl-3-sulfamoylbenzoic acid
TL;DR: 4-Methyl-3-sulfamoylbenzoic acid (CAS 20532-05-2) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-sulfamoylbenzoic acid
Also Known As: 4-methyl-3-sulfamoylbenzoic acid, 3-(aminosulfonyl)-4-methylbenzoic acid, p-Carboxytoluolsulfonamid, ethyl 2,3-dihydroxybenzoate, Benzoic acid, 3-(aminosulfonyl)-4-methyl-
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 20532-05-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N |
| InChIKey | USYIWRQZOYSBNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-3-sulfamoylbenzoic acid (CAS 20532-05-2), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: 4-methyl-3-sulfamoylbenzoic acid.
Chemical Property Profile of 4-Methyl-3-sulfamoylbenzoic acid
Property Insights of 4-Methyl-3-sulfamoylbenzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-sulfamoylbenzoic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-sulfamoylbenzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-sulfamoylbenzoic acid has 2 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-Methyl-3-sulfamoylbenzoic acid?
The CAS number of 4-Methyl-3-sulfamoylbenzoic acid is 20532-05-2.
What is the molecular formula of 4-Methyl-3-sulfamoylbenzoic acid?
The molecular formula of 4-Methyl-3-sulfamoylbenzoic acid is C8H9NO4S.
What is the molecular weight of 4-Methyl-3-sulfamoylbenzoic acid?
The molecular weight of 4-Methyl-3-sulfamoylbenzoic acid is 215.03 g/mol.
Where can I buy 4-Methyl-3-sulfamoylbenzoic acid?
You can request a quote for 4-Methyl-3-sulfamoylbenzoic acid 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-sulfamoylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-sulfamoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.