![2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide structure](/static/products/861/861643-98-3.png)
2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide
TL;DR: 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide (CAS 861643-98-3) is a chemical compound with molecular formula C23H22F6N4OS and molecular weight 516.14 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-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H22F6N4OS |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 6.548 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.14185 |
| Heavy Atoms | 35 |
| Complexity | 1178.4702 |
Chemical Identifiers
| CAS Number | 861643-98-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide (CAS 861643-98-3), with molecular formula C23H22F6N4OS and molecular weight 516.14 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide
Property Insights of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide
The XLogP value of 6.548 indicates that 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)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-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)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-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)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-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide?
The CAS number of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide is 861643-98-3.
What is the molecular formula of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide?
The molecular formula of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide is C23H22F6N4OS.
What is the molecular weight of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide?
The molecular weight of 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide is 516.14 g/mol.
Where can I buy 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide?
You can request a quote for 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)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-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-[3,5-bis(trifl uoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.