![2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide structure](/static/products/607/607696-74-2.png)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
TL;DR: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CAS 607696-74-2) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide, 2-((4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-(4-cyano-1-methyl(3-5,6,7,8-tetrahydroisoquinolylthio))-N-(4-ethoxyphenyl)ac etamide, 2-(4-Cyano-1-methyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 872.47595 |
Chemical Identifiers
| CAS Number | 607696-74-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C |
Product Overview
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CAS 607696-74-2), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Property Insights of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
The XLogP value of 4.27 indicates that 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has 1 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 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The CAS number of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is 607696-74-2.
What is the molecular formula of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The molecular formula of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is C21H23N3O2S.
What is the molecular weight of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The molecular weight of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is 381.15 g/mol.
Where can I buy 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
You can request a quote for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.