![Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate structure](/static/products/955/95546-60-4.png)
Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate
TL;DR: Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate (CAS 95546-60-4) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
Also Known As: ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate, Ethyl 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate, ethyl 2-(4-cyano-1-ethyl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate, Ethyl 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate, Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.04968 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 578.6202 |
Chemical Identifiers
| CAS Number | 95546-60-4 |
|---|---|
| SMILES | CCC1=NC(=C(C2=C1CCCC2)C#N)SCC(=O)OCC |
Product Overview
Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate (CAS 95546-60-4), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: ethyl 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate
Property Insights of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate
The XLogP value of 3.04968 indicates that Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]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 [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]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 [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate?
The CAS number of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate is 95546-60-4.
What is the molecular formula of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate?
The molecular formula of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate is C16H20N2O2S.
What is the molecular weight of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate?
The molecular weight of Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate is 304.12 g/mol.
Where can I buy Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate?
You can request a quote for Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-cyano-1-ethyl-5,6,7,8-tetrahydro-3-isoquinolinyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.