![N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide structure](/static/products/6802/680217-07-6.webp)
N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
TL;DR: N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide (CAS 680217-07-6) is a chemical compound with molecular formula C23H14ClF6N5OS and molecular weight 557.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Also Known As: N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide, 2-[[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide, N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-tri, 2-{[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C23H14ClF6N5OS |
|---|---|
| Molecular Weight | 557.05 g/mol |
| LogP | 6.7511 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.05115 |
| Heavy Atoms | 37 |
| Complexity | 1405.1417 |
Chemical Identifiers
| CAS Number | 680217-07-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C4=CN=C(C=C4)Cl)C(F)(F)F |
Product Overview
N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide (CAS 680217-07-6), with molecular formula C23H14ClF6N5OS and molecular weight 557.05 g/mol. IUPAC: 2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
Property Insights of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
The XLogP value of 6.7511 indicates that N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide. Following Lipinski's Rule of Five, N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide?
The CAS number of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide is 680217-07-6.
What is the molecular formula of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide?
The molecular formula of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide is C23H14ClF6N5OS.
What is the molecular weight of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide?
The molecular weight of N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide is 557.05 g/mol.
Where can I buy N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide?
You can request a quote for N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.