4-(Hexylsulfonylamino)benzoic acid
TL;DR: 4-(Hexylsulfonylamino)benzoic acid (CAS 461394-65-0) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hexylsulfonylamino)benzoic acid
Also Known As: 4-(hexylsulfonylamino)benzoic Acid, 4-(Hexane-1-sulfonylamino)-benzoic acid
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.7068 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 507.94968 |
Chemical Identifiers
| CAS Number | 461394-65-0 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(Hexylsulfonylamino)benzoic acid (CAS 461394-65-0), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 4-(hexylsulfonylamino)benzoic acid.
Chemical Property Profile of 4-(Hexylsulfonylamino)benzoic acid
Property Insights of 4-(Hexylsulfonylamino)benzoic acid
The XLogP value of 2.7068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hexylsulfonylamino)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Hexylsulfonylamino)benzoic acid. Following Lipinski's Rule of Five, 4-(Hexylsulfonylamino)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 4-(Hexylsulfonylamino)benzoic acid?
The CAS number of 4-(Hexylsulfonylamino)benzoic acid is 461394-65-0.
What is the molecular formula of 4-(Hexylsulfonylamino)benzoic acid?
The molecular formula of 4-(Hexylsulfonylamino)benzoic acid is C13H19NO4S.
What is the molecular weight of 4-(Hexylsulfonylamino)benzoic acid?
The molecular weight of 4-(Hexylsulfonylamino)benzoic acid is 285.10 g/mol.
Where can I buy 4-(Hexylsulfonylamino)benzoic acid?
You can request a quote for 4-(Hexylsulfonylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexylsulfonylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexylsulfonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.