![3-[(2-Cyanoethyl)sulfamoyl]benzoic acid structure](/static/products/852/852296-87-8.png)
3-[(2-Cyanoethyl)sulfamoyl]benzoic acid
TL;DR: 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid (CAS 852296-87-8) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethylsulfamoyl)benzoic acid
Also Known As: 3-[(2-cyanoethyl)sulfamoyl]benzoic acid, 3-(2-cyanoethylsulfamoyl)benzoic Acid, 3-(n-(2-Cyanoethyl)sulfamoyl)benzoic acid, 3-{[(2-cyanoethyl)amino]sulfonyl}benzoic acid, 3-[(2-cyanoethyl)sulfamoyl]benzoicacid
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.57678 |
| Topological Polar Surface Area | 107.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 559.91376 |
Chemical Identifiers
| CAS Number | 852296-87-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NCCC#N)C(=O)O |
Product Overview
3-[(2-Cyanoethyl)sulfamoyl]benzoic acid (CAS 852296-87-8), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 3-(2-cyanoethylsulfamoyl)benzoic acid.
Chemical Property Profile of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid
Property Insights of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid
The XLogP value of 0.57678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid. The TPSA of 107.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid has 2 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)sulfamoyl]benzoic acid?
The CAS number of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid is 852296-87-8.
What is the molecular formula of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid?
The molecular formula of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid is C10H10N2O4S.
What is the molecular weight of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid?
The molecular weight of 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid is 254.04 g/mol.
Where can I buy 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid?
You can request a quote for 3-[(2-Cyanoethyl)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)sulfamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Cyanoethyl)sulfamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.