ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate
TL;DR: ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate (CAS 369611-18-7) is a chemical compound with molecular formula C20H19FN2O2S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-4-carboxylate
Also Known As: ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate, ethyl 3-cyano-2-[(4-fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinolinecarboxylate, ethyl 3-cyano-2-[(4-fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-4-carboxylate, ethyl 3-cyano-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-4-carboxylate
| Molecular Formula | C20H19FN2O2S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 4.44018 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1151 |
| Heavy Atoms | 26 |
| Complexity | 859.5954 |
Chemical Identifiers
| CAS Number | 369611-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC2=C1CCCC2)SCC3=CC=C(C=C3)F)C#N |
Product Overview
ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate (CAS 369611-18-7), with molecular formula C20H19FN2O2S and molecular weight 370.12 g/mol. IUPAC: ethyl 3-cyano-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-4-carboxylate.
Chemical Property Profile of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate
Property Insights of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate
The XLogP value of 4.44018 indicates that ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The CAS number of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate is 369611-18-7.
What is the molecular formula of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The molecular formula of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate is C20H19FN2O2S.
What is the molecular weight of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The molecular weight of ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate is 370.12 g/mol.
Where can I buy ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate?
You can request a quote for ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-cyano-2-((4-fluorobenzyl)thio)-5,6,7,8-tetrahydroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.