![ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate structure](/static/products/709/709643-43-6.png)
ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
TL;DR: ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate (CAS 709643-43-6) is a chemical compound with molecular formula C22H23FN2O3S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate, ethyl 2-[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-2-1,4,6,7,8-pentahydroq uinolylthio]acetate
| Molecular Formula | C22H23FN2O3S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.18718 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.14133 |
| Heavy Atoms | 29 |
| Complexity | 941.7992 |
Chemical Identifiers
| CAS Number | 709643-43-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C#N |
Product Overview
ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate (CAS 709643-43-6), with molecular formula C22H23FN2O3S and molecular weight 414.14 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Property Insights of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
The XLogP value of 4.18718 indicates that ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate has 1 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 {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate?
The CAS number of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate is 709643-43-6.
What is the molecular formula of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate?
The molecular formula of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate is C22H23FN2O3S.
What is the molecular weight of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate?
The molecular weight of ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate is 414.14 g/mol.
Where can I buy ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate?
You can request a quote for ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate 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-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.