2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 879464-99-0) is a chemical compound with molecular formula C22H23N7OS and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide, 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide, 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(6-ethyl-2-meth ylphenyl)acetamide, 2-{[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
| Molecular Formula | C22H23N7OS |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 3.65062 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.1685 |
| Heavy Atoms | 31 |
| Complexity | 1199.8071 |
Chemical Identifiers
| CAS Number | 879464-99-0 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4)C |
Product Overview
2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 879464-99-0), with molecular formula C22H23N7OS and molecular weight 433.17 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
The XLogP value of 3.65062 indicates that 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide has 3 hydrogen bond donor(s) and 6 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-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is 879464-99-0.
What is the molecular formula of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is C22H23N7OS.
What is the molecular weight of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is 433.17 g/mol.
Where can I buy 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)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-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.