Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate
TL;DR: Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate (CAS 29680-85-1) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-2H-quinoline-1-carboxylate
Also Known As: 2-Methylthio-1(2H)-quinolinecarboxylic acid, ethyl ester, Ethyl 2-(methylsulfanyl)-1(2H)-quinolinecarboxylate, 5-21-03-00030 (Beilstein Handbook Reference), ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate, 1(2H)-Quinolinecarboxylic acid, 2-methylthio-, ethyl ester
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 29680-85-1 |
|---|---|
| SMILES | CCOC(=O)N1C(C=CC2=CC=CC=C21)SC |
| InChIKey | SDSIHESJXQVDJI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate (CAS 29680-85-1), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: ethyl 2-methylsulfanyl-2H-quinoline-1-carboxylate.
Chemical Property Profile of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate
Property Insights of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate
The XLogP value of 3.2 indicates that Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate 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 Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate is 29680-85-1.
What is the molecular formula of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate is C13H15NO2S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate is 249.08 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.