N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide
TL;DR: N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide (CAS 314282-51-4) is a chemical compound with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylthiourea
Also Known As: Hit2Lead 5194466, N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide, 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylthiourea, 1-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3-phenyl-thiourea, 4-[(anilinocarbonothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
| Molecular Formula | C17H16N4O3S2 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 3.59272 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.06638 |
| Heavy Atoms | 26 |
| Complexity | 1000.00195 |
Chemical Identifiers
| CAS Number | 314282-51-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 |
Product Overview
N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide (CAS 314282-51-4), with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol. IUPAC: 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylthiourea.
Chemical Property Profile of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide
Property Insights of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide
The XLogP value of 3.59272 indicates that N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide. Following Lipinski's Rule of Five, N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide has 3 hydrogen bond donor(s) and 5 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 N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide?
The CAS number of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide is 314282-51-4.
What is the molecular formula of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide?
The molecular formula of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide is C17H16N4O3S2.
What is the molecular weight of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide?
The molecular weight of N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide is 388.07 g/mol.
Where can I buy N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide?
You can request a quote for N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.