![3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine structure](/static/products/4390/439097-50-4.webp)
3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine
TL;DR: 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine (CAS 439097-50-4) is a chemical compound with molecular formula C11H7Cl2F3N2O and molecular weight 309.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-chloroethyl)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazole
Also Known As: 3-chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-[5-(1-chloroethyl)-1,2-oxazol-3-yl]-5-(trifluoromethyl)pyridine, 5-(1-chloroethyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazole, 5-(1-chloroethyl)-3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isoxazole, C11H7Cl2F3N2O
| Molecular Formula | C11H7Cl2F3N2O |
|---|---|
| Molecular Weight | 309.99 g/mol |
| LogP | 4.7086 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.98874 |
| Heavy Atoms | 19 |
| Complexity | 595.8665 |
Chemical Identifiers
| CAS Number | 439097-50-4 |
|---|---|
| SMILES | CC(C1=CC(=NO1)C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
Product Overview
3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine (CAS 439097-50-4), with molecular formula C11H7Cl2F3N2O and molecular weight 309.99 g/mol. IUPAC: 5-(1-chloroethyl)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazole.
Chemical Property Profile of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine
Property Insights of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine
The XLogP value of 4.7086 indicates that 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine 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-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine?
The CAS number of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine is 439097-50-4.
What is the molecular formula of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine?
The molecular formula of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine is C11H7Cl2F3N2O.
What is the molecular weight of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine?
The molecular weight of 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine is 309.99 g/mol.
Where can I buy 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine?
You can request a quote for 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-[5-(1-chloroethyl)-3-isoxazolyl]-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.