S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
TL;DR: S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate (CAS 53736-12-2) is a chemical compound with molecular formula C15H17F3N2O4S2 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-sulfosulfanylethylamino)propoxy]-4-(trifluoromethyl)quinoline
Also Known As: S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(3-(4-(trifluoromethyl)-2-quinolyloxy)propyl)amino-, Thiosulfuric acid, S-(2-((3-(4-trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl) ester, Ethanethiol, 2-(3-(4-(trifluoromethyl)-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester), s-{2-[(3-{[4-(trifluoromethyl)quinolin-2-yl]oxy}propyl)amino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C15H17F3N2O4S2 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.0582 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 53736-12-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)OCCCNCCSS(=O)(=O)O)C(F)(F)F |
| InChIKey | WHHJVZWAZFDIMO-UHFFFAOYSA-N |
Product Overview
S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate (CAS 53736-12-2), with molecular formula C15H17F3N2O4S2 and molecular weight 410.06 g/mol. IUPAC: 2-[3-(2-sulfosulfanylethylamino)propoxy]-4-(trifluoromethyl)quinoline.
Chemical Property Profile of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
Property Insights of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate. Following Lipinski's Rule of Five, S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate has 2 hydrogen bond donor(s) and 10 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 S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate?
The CAS number of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate is 53736-12-2.
What is the molecular formula of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate?
The molecular formula of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate is C15H17F3N2O4S2.
What is the molecular weight of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate?
The molecular weight of S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate is 410.06 g/mol.
Where can I buy S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate?
You can request a quote for S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.