![2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide structure](/static/products/861/861148-55-2.png)
2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide
TL;DR: 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide (CAS 861148-55-2) is a chemical compound with molecular formula C24H24F6N4OS and molecular weight 530.16 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-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C24H24F6N4OS |
|---|---|
| Molecular Weight | 530.16 g/mol |
| LogP | 7.0309 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.15753 |
| Heavy Atoms | 36 |
| Complexity | 1195.1245 |
Chemical Identifiers
| CAS Number | 861148-55-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide (CAS 861148-55-2), with molecular formula C24H24F6N4OS and molecular weight 530.16 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide
Property Insights of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide
The XLogP value of 7.0309 indicates that 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide?
The CAS number of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide is 861148-55-2.
What is the molecular formula of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide?
The molecular formula of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide is C24H24F6N4OS.
What is the molecular weight of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide?
The molecular weight of 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide is 530.16 g/mol.
Where can I buy 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide?
You can request a quote for 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)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-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(triflu oromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.