2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 879450-13-2) is a chemical compound with molecular formula C14H16N8O3S2 and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphe nyl)acetamide, 2-{[4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C14H16N8O3S2 |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 0.06862 |
| Topological Polar Surface Area | 174.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.07867 |
| Heavy Atoms | 27 |
| Complexity | 1072.235 |
Chemical Identifiers
| CAS Number | 879450-13-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 879450-13-2), with molecular formula C14H16N8O3S2 and molecular weight 408.08 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 0.06862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide. The TPSA of 174.67 Ų indicates high polarity, suggesting 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide has 4 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 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 879450-13-2.
What is the molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is C14H16N8O3S2.
What is the molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 408.08 g/mol.
Where can I buy 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide 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-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.