![5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole structure](/static/products/3389/338976-13-9.webp)
5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole
TL;DR: 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole (CAS 338976-13-9) is a chemical compound with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1,2-oxazole
Also Known As: 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}isoxazole, 5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1,2-oxazole, 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1,2-oxazole, 9C-090, 5-[1-[3-(trifluoromethyl)phenoxy]ethyl]isoxazole
| Molecular Formula | C12H10F3NO2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.8334 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06638 |
| Heavy Atoms | 18 |
| Complexity | 508.2911 |
Chemical Identifiers
| CAS Number | 338976-13-9 |
|---|---|
| SMILES | CC(C1=CC=NO1)OC2=CC=CC(=C2)C(F)(F)F |
Product Overview
5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole (CAS 338976-13-9), with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol. IUPAC: 5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1,2-oxazole.
Chemical Property Profile of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole
Property Insights of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole
The XLogP value of 3.8334 indicates that 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.26 Ų, 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole 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-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole?
The CAS number of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole is 338976-13-9.
What is the molecular formula of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole?
The molecular formula of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole is C12H10F3NO2.
What is the molecular weight of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole?
The molecular weight of 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole is 257.07 g/mol.
Where can I buy 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole?
You can request a quote for 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{1-[3-(Trifluoromethyl)phenoxy]ethyl}isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.