Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate
TL;DR: Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate (CAS 662138-33-2) is a chemical compound with molecular formula C13H11Cl2NO2S and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,8-dichloro-2-methylsulfanylquinoline-3-carboxylate
Also Known As: ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate, ethyl 4,8-dichloro-2-methylsulfanylquinoline-3-carboxylate, ethyl 4,8-dichloro-2-(methylsulfanyl)quinoline-3-carboxylate, ETHYL4,8-DICHLORO-2-(METHYLTHIO)QUINOLINE-3-CARBOXYLATE
| Molecular Formula | C13H11Cl2NO2S |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 4.4402 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.98877 |
| Heavy Atoms | 19 |
| Complexity | 646.0661 |
Chemical Identifiers
| CAS Number | 662138-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)Cl |
Product Overview
Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate (CAS 662138-33-2), with molecular formula C13H11Cl2NO2S and molecular weight 314.99 g/mol. IUPAC: ethyl 4,8-dichloro-2-methylsulfanylquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate
Property Insights of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate
The XLogP value of 4.4402 indicates that Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate?
The CAS number of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate is 662138-33-2.
What is the molecular formula of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate?
The molecular formula of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate is C13H11Cl2NO2S.
What is the molecular weight of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate?
The molecular weight of Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate is 314.99 g/mol.
Where can I buy Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate?
You can request a quote for Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,8-dichloro-2-(methylthio)quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.