3-(Pentan-3-ylsulfamoyl)benzoic acid
TL;DR: 3-(Pentan-3-ylsulfamoyl)benzoic acid (CAS 440113-27-9) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pentan-3-ylsulfamoyl)benzoic acid
Also Known As: 3-(pentan-3-ylsulfamoyl)benzoic acid, 3-(N-(pentan-3-yl)sulfamoyl)benzoic acid, 3-{[(1-ethylpropyl)amino]sulfonyl}benzoic acid, 3-{[(ethylpropyl)amino]sulfonyl}benzoic acid, AO-080/41005918
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.8517 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 520.63385 |
Chemical Identifiers
| CAS Number | 440113-27-9 |
|---|---|
| SMILES | CCC(CC)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O |
Product Overview
3-(Pentan-3-ylsulfamoyl)benzoic acid (CAS 440113-27-9), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 3-(pentan-3-ylsulfamoyl)benzoic acid.
Chemical Property Profile of 3-(Pentan-3-ylsulfamoyl)benzoic acid
Property Insights of 3-(Pentan-3-ylsulfamoyl)benzoic acid
The XLogP value of 1.8517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pentan-3-ylsulfamoyl)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pentan-3-ylsulfamoyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Pentan-3-ylsulfamoyl)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-(Pentan-3-ylsulfamoyl)benzoic acid?
The CAS number of 3-(Pentan-3-ylsulfamoyl)benzoic acid is 440113-27-9.
What is the molecular formula of 3-(Pentan-3-ylsulfamoyl)benzoic acid?
The molecular formula of 3-(Pentan-3-ylsulfamoyl)benzoic acid is C12H17NO4S.
What is the molecular weight of 3-(Pentan-3-ylsulfamoyl)benzoic acid?
The molecular weight of 3-(Pentan-3-ylsulfamoyl)benzoic acid is 271.09 g/mol.
Where can I buy 3-(Pentan-3-ylsulfamoyl)benzoic acid?
You can request a quote for 3-(Pentan-3-ylsulfamoyl)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-(Pentan-3-ylsulfamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentan-3-ylsulfamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.