![2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide structure](/static/products/861/861638-88-2.png)
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 861638-88-2) is a chemical compound with molecular formula C25H20ClF3N4OS and molecular weight 516.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[4,5-bis(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[2-chloro-5-(trifluorome thyl)phenyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4,5-di-p-tolyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C25H20ClF3N4OS |
|---|---|
| Molecular Weight | 516.10 g/mol |
| LogP | 6.95414 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.09985 |
| Heavy Atoms | 35 |
| Complexity | 1352.8872 |
Chemical Identifiers
| CAS Number | 861638-88-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CAS 861638-88-2), with molecular formula C25H20ClF3N4OS and molecular weight 516.10 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
The XLogP value of 6.95414 indicates that 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)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-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)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-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 861638-88-2.
What is the molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is C25H20ClF3N4OS.
What is the molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is 516.10 g/mol.
Where can I buy 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(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-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.