Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate
TL;DR: Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate (CAS 689761-32-8) is a chemical compound with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate
Also Known As: ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate, ethyl 7-chloro-8-methyl-2-(thiophen-2-yl)quinoline-4-carboxylate, ethyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate, ethyl 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate
| Molecular Formula | C17H14ClNO2S |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 5.10182 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.04337 |
| Heavy Atoms | 22 |
| Complexity | 843.48627 |
Chemical Identifiers
| CAS Number | 689761-32-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=CS3 |
Product Overview
Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate (CAS 689761-32-8), with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol. IUPAC: ethyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate.
Chemical Property Profile of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate
Property Insights of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate
The XLogP value of 5.10182 indicates that Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate 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 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate?
The CAS number of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate is 689761-32-8.
What is the molecular formula of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate?
The molecular formula of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate is C17H14ClNO2S.
What is the molecular weight of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate?
The molecular weight of Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate is 331.04 g/mol.
Where can I buy Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate?
You can request a quote for Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-chloro-8-methyl-2-(2-thienyl)-4-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.