![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide structure](/static/products/6809/680995-91-9.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide (CAS 680995-91-9) is a chemical compound with molecular formula C16H15FN6O3S2 and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C16H15FN6O3S2 |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 1.1762 |
| Topological Polar Surface Area | 145.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.0631 |
| Heavy Atoms | 28 |
| Complexity | 1098.4132 |
Chemical Identifiers
| CAS Number | 680995-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)F |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide (CAS 680995-91-9), with molecular formula C16H15FN6O3S2 and molecular weight 422.06 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide
The XLogP value of 1.1762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide. The TPSA of 145.99 Ų indicates high polarity, suggesting 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide has 3 hydrogen bond donor(s) and 7 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 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide is 680995-91-9.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide is C16H15FN6O3S2.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide is 422.06 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)ac etamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.