2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (CAS 577700-13-1) is a chemical compound with molecular formula C16H12ClF3N6OS and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide, F2649-0048, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-[2-chloro-5-(trifluorometh yl)phenyl]acetamide
| Molecular Formula | C16H12ClF3N6OS |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 3.4569 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0434 |
| Heavy Atoms | 28 |
| Complexity | 995.7898 |
Chemical Identifiers
| CAS Number | 577700-13-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (CAS 577700-13-1), with molecular formula C16H12ClF3N6OS and molecular weight 428.04 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
The XLogP value of 3.4569 indicates that 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide has 2 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-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is 577700-13-1.
What is the molecular formula of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is C16H12ClF3N6OS.
What is the molecular weight of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is 428.04 g/mol.
Where can I buy 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)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-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.