![3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine structure](/static/products/7218/721886-23-3.webp)
3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
TL;DR: 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 721886-23-3) is a chemical compound with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenoxy]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine, 3-[[3-(trifluoromethyl)phenoxy]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
| Molecular Formula | C15H16F3N3O |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.6023 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.12454 |
| Heavy Atoms | 22 |
| Complexity | 651.7225 |
Chemical Identifiers
| CAS Number | 721886-23-3 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 721886-23-3), with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenoxy]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
Property Insights of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
The XLogP value of 3.6023 indicates that 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine 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 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The CAS number of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 721886-23-3.
What is the molecular formula of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular formula of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is C15H16F3N3O.
What is the molecular weight of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular weight of 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 311.12 g/mol.
Where can I buy 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
You can request a quote for 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(trifluoromethyl)phenoxy]methyl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.