2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide
TL;DR: 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide (CAS 577787-04-3) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide, F2715-0087, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide, 2-(4-amino-5-phenyl(1,2,4-triazol-3-ylthio))-N-(4-ethylphenyl)acetamide
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 2.9521 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 845.6628 |
Chemical Identifiers
| CAS Number | 577787-04-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3 |
Product Overview
2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide (CAS 577787-04-3), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide
Property Insights of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide
The XLogP value of 2.9521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide has 2 hydrogen bond donor(s) and 5 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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide?
The CAS number of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide is 577787-04-3.
What is the molecular formula of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide is C18H19N5OS.
What is the molecular weight of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide is 353.13 g/mol.
Where can I buy 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.