![4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid structure](/static/products/696/696624-38-1.png)
4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid
TL;DR: 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid (CAS 696624-38-1) is a chemical compound with molecular formula C16H13N3O6S3 and molecular weight 439.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(1,3-thiazol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
Also Known As: BAS 06259503, BRD-K71948068-001-01-6, 4-[4-(Thiazol-5-ylsulfamoyl)-phenylsulfamoyl]-benzoic acid, A3571/0151553, 4-(N-(4-(N-(thiazol-5-yl)sulfamoyl)phenyl)sulfamoyl)benzoic acid
| Molecular Formula | C16H13N3O6S3 |
|---|---|
| Molecular Weight | 439.00 g/mol |
| LogP | 2.4429 |
| Topological Polar Surface Area | 142.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.99664 |
| Heavy Atoms | 28 |
| Complexity | 1187.5254 |
Chemical Identifiers
| CAS Number | 696624-38-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CS3 |
Product Overview
4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid (CAS 696624-38-1), with molecular formula C16H13N3O6S3 and molecular weight 439.00 g/mol. IUPAC: 4-[[4-(1,3-thiazol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid.
Chemical Property Profile of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid
Property Insights of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid
The XLogP value of 2.4429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid. The TPSA of 142.53 Ų indicates high polarity, suggesting 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid has 3 hydrogen bond donor(s) and 7 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-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid?
The CAS number of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid is 696624-38-1.
What is the molecular formula of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid?
The molecular formula of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid is C16H13N3O6S3.
What is the molecular weight of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid?
The molecular weight of 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid is 439.00 g/mol.
Where can I buy 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid?
You can request a quote for 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]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 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(1,3-Thiazol-5-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.