4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline
TL;DR: 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline (CAS 866133-05-3) is a chemical compound with molecular formula C13H10Cl2F3NO and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline
Also Known As: 4-chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline, 4-chloro-3-(2-chloroethyl)-2-methyl-6-quinolinyl trifluoromethyl ether, C13H10Cl2F3NO
| Molecular Formula | C13H10Cl2F3NO |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 4.87652 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.00916 |
| Heavy Atoms | 20 |
| Complexity | 643.52936 |
Chemical Identifiers
| CAS Number | 866133-05-3 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)OC(F)(F)F)Cl)CCCl |
Product Overview
4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline (CAS 866133-05-3), with molecular formula C13H10Cl2F3NO and molecular weight 323.01 g/mol. IUPAC: 4-chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline.
Chemical Property Profile of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline
Property Insights of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline
The XLogP value of 4.87652 indicates that 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline 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 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline?
The CAS number of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline is 866133-05-3.
What is the molecular formula of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline?
The molecular formula of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline is C13H10Cl2F3NO.
What is the molecular weight of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline?
The molecular weight of 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline is 323.01 g/mol.
Where can I buy 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline?
You can request a quote for 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)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-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(2-chloroethyl)-2-methyl-6-(trifluoromethoxy)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.