4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
TL;DR: 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide (CAS 721910-57-2) is a chemical compound with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
Also Known As: 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide, 1-benzyl-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiourea, 1-benzyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea, 4-{[(benzylamino)carbonothioyl]amino}-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
| Molecular Formula | C18H18N4O3S2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 3.27042 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.08203 |
| Heavy Atoms | 27 |
| Complexity | 1016.275 |
Chemical Identifiers
| CAS Number | 721910-57-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3 |
Product Overview
4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide (CAS 721910-57-2), with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol. IUPAC: 1-benzyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea.
Chemical Property Profile of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
Property Insights of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
The XLogP value of 3.27042 indicates that 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)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 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)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 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide?
The CAS number of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide is 721910-57-2.
What is the molecular formula of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide?
The molecular formula of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide is C18H18N4O3S2.
What is the molecular weight of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide?
The molecular weight of 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide is 402.08 g/mol.
Where can I buy 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide?
You can request a quote for 4-(3-Benzylthioureido)-N-(5-methylisoxazol-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-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Benzylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.