3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid
TL;DR: 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid (CAS 851168-79-1) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-(methylsulfamoyl)benzoic acid
Also Known As: 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.90974 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 533.9952 |
Chemical Identifiers
| CAS Number | 851168-79-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)NC)C(=O)O |
Product Overview
3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid (CAS 851168-79-1), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: 3,4-dimethyl-5-(methylsulfamoyl)benzoic acid.
Chemical Property Profile of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid
Property Insights of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid
The XLogP value of 0.90974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid. Following Lipinski's Rule of Five, 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid has 2 hydrogen bond donor(s) and 3 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 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid?
The CAS number of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid is 851168-79-1.
What is the molecular formula of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid?
The molecular formula of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid is C10H13NO4S.
What is the molecular weight of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid?
The molecular weight of 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid is 243.06 g/mol.
Where can I buy 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid?
You can request a quote for 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-5-(methylsulfamoyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.