![1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone structure](/static/products/4778/477872-99-4.webp)
1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone
TL;DR: 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone (CAS 477872-99-4) is a chemical compound with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]ethanone
Also Known As: 1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone, 1-{3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl}ethan-1-one, 2G-014, 1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]ethanone, 1-[3-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-isoxazol-5-yl]-ethanone
| Molecular Formula | C11H6ClF3N2O2 |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 3.6114 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.007 |
| Heavy Atoms | 19 |
| Complexity | 637.1108 |
Chemical Identifiers
| CAS Number | 477872-99-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=NO1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone (CAS 477872-99-4), with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol. IUPAC: 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]ethanone.
Chemical Property Profile of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone
Property Insights of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone
The XLogP value of 3.6114 indicates that 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone has 0 hydrogen bond donor(s) and 4 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 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone?
The CAS number of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone is 477872-99-4.
What is the molecular formula of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone?
The molecular formula of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone is C11H6ClF3N2O2.
What is the molecular weight of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone?
The molecular weight of 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone is 290.01 g/mol.
Where can I buy 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone?
You can request a quote for 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.