![4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide structure](/static/products/331/331639-97-5.png)
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
TL;DR: 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide (CAS 331639-97-5) is a chemical compound with molecular formula C17H13FN4O3S3 and molecular weight 436.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
Also Known As: BAS 00756851, 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide, 3-fluoro-N-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamide, 3-fluoro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide, 3-fluoro-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C17H13FN4O3S3 |
|---|---|
| Molecular Weight | 436.01 g/mol |
| LogP | 3.2098 |
| Topological Polar Surface Area | 100.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.0134 |
| Heavy Atoms | 28 |
| Complexity | 1100.941 |
Chemical Identifiers
| CAS Number | 331639-97-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 |
Product Overview
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide (CAS 331639-97-5), with molecular formula C17H13FN4O3S3 and molecular weight 436.01 g/mol. IUPAC: 3-fluoro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
Property Insights of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
The XLogP value of 3.2098 indicates that 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide. Following Lipinski's Rule of Five, 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide has 3 hydrogen bond donor(s) and 6 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-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide?
The CAS number of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide is 331639-97-5.
What is the molecular formula of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide?
The molecular formula of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide is C17H13FN4O3S3.
What is the molecular weight of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide?
The molecular weight of 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide is 436.01 g/mol.
Where can I buy 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide?
You can request a quote for 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.