![2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone structure](/static/products/1296/129602-62-6.webp)
2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone
TL;DR: 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone (CAS 129602-62-6) is a chemical compound with molecular formula C14H5F6NO2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[3-(trifluoromethyl)benzo[g][2,1]benzoxazol-5-yl]ethanone
Also Known As: 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone, NCI60_016243, 2,2,2-trifluoro-1-[3-(trifluoromethyl)benzo[g][2,1]benzoxazol-5-yl]ethanone, 5-Trifluoroacetyl-3-trifluoromethylnaphth[1,2-c]isoxazole, 2,2,2-Trifluoro-1-(3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl)ethanone
| Molecular Formula | C14H5F6NO2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.02246 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 129602-62-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C(ON=C23)C(F)(F)F)C(=O)C(F)(F)F |
| InChIKey | KEBWDNXYMFJTRK-UHFFFAOYSA-N |
Product Overview
2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone (CAS 129602-62-6), with molecular formula C14H5F6NO2 and molecular weight 333.02 g/mol. IUPAC: 2,2,2-trifluoro-1-[3-(trifluoromethyl)benzo[g][2,1]benzoxazol-5-yl]ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone
Property Insights of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone
The XLogP value of 4.7 indicates that 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone has 0 hydrogen bond donor(s) and 9 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 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone?
The CAS number of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone is 129602-62-6.
What is the molecular formula of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone?
The molecular formula of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone is C14H5F6NO2.
What is the molecular weight of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone?
The molecular weight of 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone is 333.02 g/mol.
Where can I buy 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone?
You can request a quote for 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.