4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline
TL;DR: 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline (CAS 401567-85-9) is a chemical compound with molecular formula C10H4ClF4N and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-8-fluoro-2-(trifluoromethyl)quinoline
Also Known As: 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline, 2-piperazinonicotinonitrile, B-3594, 4-Chloro-8-fluoro-2-(trifluoromethyl);quinoline, Quinoline,4-chloro-8-fluoro-2-(trifluoromethyl)-
| Molecular Formula | C10H4ClF4N |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 4.0461 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.99684 |
| Heavy Atoms | 16 |
| Complexity | 550.2457 |
Chemical Identifiers
| CAS Number | 401567-85-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)F)N=C(C=C2Cl)C(F)(F)F |
Product Overview
4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline (CAS 401567-85-9), with molecular formula C10H4ClF4N and molecular weight 249.00 g/mol. IUPAC: 4-chloro-8-fluoro-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline
Property Insights of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline
The XLogP value of 4.0461 indicates that 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline has 0 hydrogen bond donor(s) and 1 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 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline?
The CAS number of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline is 401567-85-9.
What is the molecular formula of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline?
The molecular formula of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline is C10H4ClF4N.
What is the molecular weight of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline?
The molecular weight of 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline is 249.00 g/mol.
Where can I buy 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline?
You can request a quote for 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-8-fluoro-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.