![5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one structure](/static/products/861/861206-75-9.png)
5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
TL;DR: 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one (CAS 861206-75-9) is a chemical compound with molecular formula C18H16F3N3O2 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Also Known As: 1W-0960, 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one, 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-methyl-1-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C18H16F3N3O2 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.44022 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.11948 |
| Heavy Atoms | 26 |
| Complexity | 946.3054 |
Chemical Identifiers
| CAS Number | 861206-75-9 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CCOC3=CC=CC=C3 |
Product Overview
5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one (CAS 861206-75-9), with molecular formula C18H16F3N3O2 and molecular weight 363.12 g/mol. IUPAC: 5-methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Property Insights of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
The XLogP value of 3.44022 indicates that 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.05 Ų, 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 3 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 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one?
The CAS number of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one is 861206-75-9.
What is the molecular formula of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one?
The molecular formula of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one is C18H16F3N3O2.
What is the molecular weight of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one?
The molecular weight of 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one is 363.12 g/mol.
Where can I buy 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one?
You can request a quote for 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(2-phenoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.