4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide
TL;DR: 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide (CAS 499975-47-2) is a chemical compound with molecular formula C17H14N4O3S3 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
Also Known As: BAS 00435592, 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide, N-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamide, N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide, N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C17H14N4O3S3 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 3.0707 |
| Topological Polar Surface Area | 100.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0228 |
| Heavy Atoms | 27 |
| Complexity | 1034.7972 |
Chemical Identifiers
| CAS Number | 499975-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 |
Product Overview
4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide (CAS 499975-47-2), with molecular formula C17H14N4O3S3 and molecular weight 418.02 g/mol. IUPAC: N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide
Property Insights of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide
The XLogP value of 3.0707 indicates that 4-(3-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-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-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-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide?
The CAS number of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide is 499975-47-2.
What is the molecular formula of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide?
The molecular formula of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide is C17H14N4O3S3.
What is the molecular weight of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide?
The molecular weight of 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide is 418.02 g/mol.
Where can I buy 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide?
You can request a quote for 4-(3-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-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Benzoyl-thioureido)-N-thiazol-2-yl-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.