![4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/860/860784-86-7.png)
4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-86-7) is a chemical compound with molecular formula C17H13F4N3O and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
Also Known As: 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 12T-0326, 4-(2-fluorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one, 4-(2-fluorophenyl)-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H13F4N3O |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 3.54862 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0995 |
| Heavy Atoms | 25 |
| Complexity | 972.5097 |
Chemical Identifiers
| CAS Number | 860784-86-7 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC=C2F)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-86-7), with molecular formula C17H13F4N3O and molecular weight 351.10 g/mol. IUPAC: 4-(2-fluorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.54862 indicates that 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-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 39.82 Ų, 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 2 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 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 860784-86-7.
What is the molecular formula of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is C17H13F4N3O.
What is the molecular weight of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 351.10 g/mol.
Where can I buy 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-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 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.