![N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide structure](/static/products/2285/228580-45-8.webp)
N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide
TL;DR: N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 228580-45-8) is a chemical compound with molecular formula C18H12ClF6N5OS and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(6-chloro-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(6-chloropyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}ac, N-[3,5-bis(trifluoromethyl)phenyl]-2-{[5-(6-chloropyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}acetamide, N1-[3,5-Di(trifluoromethyl)phenyl]-2-([5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio)acetamide
| Molecular Formula | C18H12ClF6N5OS |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | 5.2989 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.03552 |
| Heavy Atoms | 32 |
| Complexity | 1098.1194 |
Chemical Identifiers
| CAS Number | 228580-45-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CN=C(C=C3)Cl |
Product Overview
N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 228580-45-8), with molecular formula C18H12ClF6N5OS and molecular weight 495.04 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(6-chloro-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide
Property Insights of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide
The XLogP value of 5.2989 indicates that N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-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-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide. Following Lipinski's Rule of Five, N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-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-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide?
The CAS number of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide is 228580-45-8.
What is the molecular formula of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular formula of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide is C18H12ClF6N5OS.
What is the molecular weight of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular weight of N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide is 495.04 g/mol.
Where can I buy N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide?
You can request a quote for N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-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-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N1-[3,5-di(trifluoromethyl)phenyl]-2-{[5-(6-chloro-3-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.