![5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid structure](/static/products/825/825611-12-9.png)
5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid
TL;DR: 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid (CAS 825611-12-9) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[benzyl(methyl)sulfamoyl]-2-methylbenzoic acid
Also Known As: IFLab1_006155, 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoic acid, 5-(N-benzyl-N-methylsulfamoyl)-2-methylbenzoic acid, 5-(Benzyl-methyl-sulfamoyl)-2-methyl-benzoic acid, 5-{[benzyl(methyl)amino]sulfonyl}-2-methylbenzoic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.51392 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 785.04803 |
Chemical Identifiers
| CAS Number | 825611-12-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2)C(=O)O |
Product Overview
5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid (CAS 825611-12-9), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoic acid.
Chemical Property Profile of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid
Property Insights of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid
The XLogP value of 2.51392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid has 1 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 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The CAS number of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid is 825611-12-9.
What is the molecular formula of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The molecular formula of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid is C16H17NO4S.
What is the molecular weight of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The molecular weight of 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid is 319.09 g/mol.
Where can I buy 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid?
You can request a quote for 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[Benzyl(methyl)sulfamoyl]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.