![2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide structure](/static/products/4048/404863-80-5.webp)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
TL;DR: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CAS 404863-80-5) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 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-(2-methoxyphenyl)acetamide
Also Known As: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-((4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-(4-cyano-1-methyl(3-5,6,7,8-tetrahydroisoquinolylthio))-N-(2-methoxyphenyl)a cetamide, 2-(4-Cyano-1-methyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide, 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.8799 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 874.0905 |
Chemical Identifiers
| CAS Number | 404863-80-5 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3OC)C#N |
Product Overview
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CAS 404863-80-5), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Property Insights of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
The XLogP value of 3.8799 indicates that 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide?
The CAS number of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is 404863-80-5.
What is the molecular formula of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The molecular formula of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is C20H21N3O2S.
What is the molecular weight of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The molecular weight of 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is 367.14 g/mol.
Where can I buy 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
You can request a quote for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.