![4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid structure](/static/products/6637/6637-30-5.webp)
4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid (CAS 6637-30-5) is a chemical compound with molecular formula C14H13N3O4S2 and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid
Also Known As: 4-{[(4-sulfamoylphenyl)carbamothioyl]amino}benzoic acid, J1.479.125F, 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid, 4-[(4-Sulfamoylphenyl)thiocarbamoylamino]benzoic acid, 4-[3-(4-Sulfamoyl-phenyl)-thioureido]-benzoic acid
| Molecular Formula | C14H13N3O4S2 |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 1.8411 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.03476 |
| Heavy Atoms | 23 |
| Complexity | 831.33105 |
Chemical Identifiers
| CAS Number | 6637-30-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid (CAS 6637-30-5), with molecular formula C14H13N3O4S2 and molecular weight 351.03 g/mol. IUPAC: 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid
The XLogP value of 1.8411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid has 4 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 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid is 6637-30-5.
What is the molecular formula of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid is C14H13N3O4S2.
What is the molecular weight of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid is 351.03 g/mol.
Where can I buy 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}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-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Sulfamoylphenyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.