![4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/802/80240-41-1.png)
4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 80240-41-1) is a chemical compound with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
Also Known As: 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one, 4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-[3-(trifluoromethyl)phenyl]-2H-1,2,4-triazol-3-one
| Molecular Formula | C9H6F3N3O |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 1.5794 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0463 |
| Heavy Atoms | 16 |
| Complexity | 555.3671 |
Chemical Identifiers
| CAS Number | 80240-41-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=NNC2=O)C(F)(F)F |
Product Overview
4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 80240-41-1), with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 1.5794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 50.68 Ų, 4-[3-(trifluoromethyl)phenyl]-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-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one has 1 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-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 80240-41-1.
What is the molecular formula of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is C9H6F3N3O.
What is the molecular weight of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 229.05 g/mol.
Where can I buy 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[3-(trifluoromethyl)phenyl]-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-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.