![3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid structure](/static/products/7353/735337-12-9.webp)
3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid
TL;DR: 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid (CAS 735337-12-9) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl(methyl)sulfamoyl]benzoic acid
Also Known As: 3-[(2-cyanoethyl)(methyl)sulfamoyl]benzoic acid, 3-[(2-Cyano-ethyl)-methyl-sulfamoyl]-benzoic acid, 3-[2-cyanoethyl(methyl)sulfamoyl]benzoic acid, 3-(2-cyanoethyl-methyl-sulfamoyl)benzoic Acid, 3-[(2-cyanoethyl)(methyl)sulfamoyl]benzoicacid
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 0.91898 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 589.3059 |
Chemical Identifiers
| CAS Number | 735337-12-9 |
|---|---|
| SMILES | CN(CCC#N)S(=O)(=O)C1=CC=CC(=C1)C(=O)O |
Product Overview
3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid (CAS 735337-12-9), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: 3-[2-cyanoethyl(methyl)sulfamoyl]benzoic acid.
Chemical Property Profile of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid
Property Insights of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid
The XLogP value of 0.91898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid 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 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid?
The CAS number of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid is 735337-12-9.
What is the molecular formula of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid?
The molecular formula of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid is C11H12N2O4S.
What is the molecular weight of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid?
The molecular weight of 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid is 268.05 g/mol.
Where can I buy 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid?
You can request a quote for 3-[(2-Cyanoethyl)(methyl)sulfamoyl]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-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Cyanoethyl)(methyl)sulfamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.