![3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole structure](/static/products/2642/264256-43-1.webp)
3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
TL;DR: 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole (CAS 264256-43-1) is a chemical compound with molecular formula C17H22F3N3O2S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-diethoxyethyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole, 3-(2,2-diethoxyethyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 3-(2,2-diethoxyethyl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,2,4-triazole
| Molecular Formula | C17H22F3N3O2S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 4.0678 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.1385 |
| Heavy Atoms | 26 |
| Complexity | 700.8018 |
Chemical Identifiers
| CAS Number | 264256-43-1 |
|---|---|
| SMILES | CCOC(CC1=NN=C(N1C)SCC2=CC(=CC=C2)C(F)(F)F)OCC |
Product Overview
3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole (CAS 264256-43-1), with molecular formula C17H22F3N3O2S and molecular weight 389.14 g/mol. IUPAC: 3-(2,2-diethoxyethyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
Property Insights of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
The XLogP value of 4.0678 indicates that 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole?
The CAS number of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole is 264256-43-1.
What is the molecular formula of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole?
The molecular formula of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole is C17H22F3N3O2S.
What is the molecular weight of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole?
The molecular weight of 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole is 389.14 g/mol.
Where can I buy 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole?
You can request a quote for 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-diethoxyethyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.