![Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate structure](/static/products/948/94833-55-3.png)
Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
TL;DR: Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate (CAS 94833-55-3) is a chemical compound with molecular formula C20H19ClN2O2S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate, ethyl 2-((4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate
| Molecular Formula | C20H19ClN2O2S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.80768 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08557 |
| Heavy Atoms | 26 |
| Complexity | 859.5954 |
Chemical Identifiers
| CAS Number | 94833-55-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Cl |
Product Overview
Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate (CAS 94833-55-3), with molecular formula C20H19ClN2O2S and molecular weight 386.09 g/mol. IUPAC: ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Property Insights of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
The XLogP value of 4.80768 indicates that Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate 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 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate 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 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate?
The CAS number of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate is 94833-55-3.
What is the molecular formula of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate?
The molecular formula of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate is C20H19ClN2O2S.
What is the molecular weight of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate?
The molecular weight of Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate is 386.09 g/mol.
Where can I buy Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate?
You can request a quote for Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-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 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.