![4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide structure](/static/products/7917/791791-44-1.webp)
4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
TL;DR: 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide (CAS 791791-44-1) is a chemical compound with molecular formula C17H15ClN4O4S and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
Also Known As: BAS 09556495, 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea, 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide, AN-329/42548522, 4-(3-(3-chlorophenyl)ureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
| Molecular Formula | C17H15ClN4O4S |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.05026 |
| Heavy Atoms | 27 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 791791-44-1 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl |
| InChIKey | ZPVSVUQDRSPSFO-UHFFFAOYSA-N |
Product Overview
4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide (CAS 791791-44-1), with molecular formula C17H15ClN4O4S and molecular weight 406.05 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.
Chemical Property Profile of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
Property Insights of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide. Following Lipinski's Rule of Five, 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-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-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide?
The CAS number of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide is 791791-44-1.
What is the molecular formula of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide?
The molecular formula of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide is C17H15ClN4O4S.
What is the molecular weight of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide?
The molecular weight of 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide is 406.05 g/mol.
Where can I buy 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide?
You can request a quote for 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-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-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.