2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide (CAS 577697-49-5) is a chemical compound with molecular formula C17H19ClF3N5OS and molecular weight 433.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide, F2715-0054, 2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-[4-chloro-3-(trifluoromethy l)phenyl]acetamide
| Molecular Formula | C17H19ClF3N5OS |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 4.4426 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.0951 |
| Heavy Atoms | 28 |
| Complexity | 851.8038 |
Chemical Identifiers
| CAS Number | 577697-49-5 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide (CAS 577697-49-5), with molecular formula C17H19ClF3N5OS and molecular weight 433.10 g/mol. IUPAC: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
The XLogP value of 4.4426 indicates that 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)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-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide is 577697-49-5.
What is the molecular formula of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide is C17H19ClF3N5OS.
What is the molecular weight of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide is 433.10 g/mol.
Where can I buy 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(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-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.