![N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide structure](/static/products/672/672935-77-2.png)
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
TL;DR: N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide (CAS 672935-77-2) is a chemical compound with molecular formula C21H20N6O4S2 and molecular weight 484.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide, N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H20N6O4S2 |
|---|---|
| Molecular Weight | 484.10 g/mol |
| LogP | 3.60814 |
| Topological Polar Surface Area | 142.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.09875 |
| Heavy Atoms | 33 |
| Complexity | 1365.523 |
Chemical Identifiers
| CAS Number | 672935-77-2 |
|---|---|
| SMILES | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4 |
Product Overview
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide (CAS 672935-77-2), with molecular formula C21H20N6O4S2 and molecular weight 484.10 g/mol. IUPAC: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
Property Insights of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
The XLogP value of 3.60814 indicates that N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.87 Ų indicates high polarity, suggesting N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide has 3 hydrogen bond donor(s) and 8 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-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide?
The CAS number of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide is 672935-77-2.
What is the molecular formula of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide?
The molecular formula of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide is C21H20N6O4S2.
What is the molecular weight of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide?
The molecular weight of N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide is 484.10 g/mol.
Where can I buy N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide?
You can request a quote for N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.