![5-[3-(Trifluoromethyl)phenyl]isoxazole structure](/static/products/2968/2968-33-4.webp)
5-[3-(Trifluoromethyl)phenyl]isoxazole
TL;DR: 5-[3-(Trifluoromethyl)phenyl]isoxazole (CAS 2968-33-4) is a chemical compound with molecular formula C10H6F3NO and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-1,2-oxazole
Also Known As: 5-[3-(Trifluoromethyl)phenyl]isoxazole, 5-[3-(trifluoromethyl)phenyl]-1,2-oxazole, 5-(3-(Trifluoromethyl)phenyl)isoxazole, Silver,compd. with sodium (1:1), Isoxazole, 5-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C10H6F3NO |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 3.3604 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.04015 |
| Heavy Atoms | 15 |
| Complexity | 447.9411 |
Chemical Identifiers
| CAS Number | 2968-33-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NO2 |
Product Overview
5-[3-(Trifluoromethyl)phenyl]isoxazole (CAS 2968-33-4), with molecular formula C10H6F3NO and molecular weight 213.04 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-1,2-oxazole.
Chemical Property Profile of 5-[3-(Trifluoromethyl)phenyl]isoxazole
Property Insights of 5-[3-(Trifluoromethyl)phenyl]isoxazole
The XLogP value of 3.3604 indicates that 5-[3-(Trifluoromethyl)phenyl]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-[3-(Trifluoromethyl)phenyl]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[3-(Trifluoromethyl)phenyl]isoxazole 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 5-[3-(Trifluoromethyl)phenyl]isoxazole?
The CAS number of 5-[3-(Trifluoromethyl)phenyl]isoxazole is 2968-33-4.
What is the molecular formula of 5-[3-(Trifluoromethyl)phenyl]isoxazole?
The molecular formula of 5-[3-(Trifluoromethyl)phenyl]isoxazole is C10H6F3NO.
What is the molecular weight of 5-[3-(Trifluoromethyl)phenyl]isoxazole?
The molecular weight of 5-[3-(Trifluoromethyl)phenyl]isoxazole is 213.04 g/mol.
Where can I buy 5-[3-(Trifluoromethyl)phenyl]isoxazole?
You can request a quote for 5-[3-(Trifluoromethyl)phenyl]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(Trifluoromethyl)phenyl]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(Trifluoromethyl)phenyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.