2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 879472-41-0) is a chemical compound with molecular formula C20H20N8O4S2 and molecular weight 500.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide, 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(4-s ulfamoylphenyl)acetamide
| Molecular Formula | C20H20N8O4S2 |
|---|---|
| Molecular Weight | 500.10 g/mol |
| LogP | 1.4358 |
| Topological Polar Surface Area | 183.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.1049 |
| Heavy Atoms | 34 |
| Complexity | 1413.7919 |
Chemical Identifiers
| CAS Number | 879472-41-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 879472-41-0), with molecular formula C20H20N8O4S2 and molecular weight 500.10 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 1.4358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide. The TPSA of 183.9 Ų indicates high polarity, suggesting 2-((4-amino-5-(3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-amino-5-(3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 879472-41-0.
What is the molecular formula of 2-((4-amino-5-(3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is C20H20N8O4S2.
What is the molecular weight of 2-((4-amino-5-(3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 500.10 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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.