ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
TL;DR: ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate (CAS 340817-52-9) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
Also Known As: ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate, ethyl 2-[(4-chlorobenzyl)sulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate, ethyl 2-[(4-chlorobenzyl)sulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro[1,6]naphthyridine-4-carboxylate, ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 4.45368 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 909.3472 |
Chemical Identifiers
| CAS Number | 340817-52-9 |
|---|---|
| SMILES | CCN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)C(=O)OCC |
Product Overview
ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate (CAS 340817-52-9), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate.
Chemical Property Profile of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
Property Insights of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
The XLogP value of 4.45368 indicates that ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The CAS number of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is 340817-52-9.
What is the molecular formula of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The molecular formula of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is C21H22ClN3O2S.
What is the molecular weight of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The molecular weight of ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is 415.11 g/mol.
Where can I buy ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
You can request a quote for ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-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 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((4-chlorobenzyl)thio)-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.