4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline
TL;DR: 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline (CAS 541539-75-7) is a chemical compound with molecular formula C12H10ClF3N2S and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
Also Known As: 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline, 2-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine, 2-((6-Chloro-2-(trifluoromethyl)quinolin-4-yl)thio)ethanamine, 4-[(2-aminoethyl)sulfanyl]-6-chloro-2-(trifluoromethyl)quinoline
| Molecular Formula | C12H10ClF3N2S |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 3.9578 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.02054 |
| Heavy Atoms | 19 |
| Complexity | 601.27954 |
Chemical Identifiers
| CAS Number | 541539-75-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CC(=N2)C(F)(F)F)SCCN |
Product Overview
4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline (CAS 541539-75-7), with molecular formula C12H10ClF3N2S and molecular weight 306.02 g/mol. IUPAC: 2-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine.
Chemical Property Profile of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline
Property Insights of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline
The XLogP value of 3.9578 indicates that 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline has 1 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 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline?
The CAS number of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline is 541539-75-7.
What is the molecular formula of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline?
The molecular formula of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline is C12H10ClF3N2S.
What is the molecular weight of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline?
The molecular weight of 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline is 306.02 g/mol.
Where can I buy 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline?
You can request a quote for 4-(2-Aminoethylthio)-6-chloro-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-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Aminoethylthio)-6-chloro-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.