2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
TL;DR: 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide (CAS 607696-50-4) is a chemical compound with molecular formula C19H19N3OS and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamide, 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide, 2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetamide, 2-{[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H19N3OS |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 3.3849 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.12488 |
| Heavy Atoms | 24 |
| Complexity | 821.986 |
Chemical Identifiers
| CAS Number | 607696-50-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCCC3)C#N)SCC(=O)N |
Product Overview
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide (CAS 607696-50-4), with molecular formula C19H19N3OS and molecular weight 337.12 g/mol. IUPAC: 2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
Property Insights of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
The XLogP value of 3.3849 indicates that 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide. Following Lipinski's Rule of Five, 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide has 1 hydrogen bond donor(s) and 4 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-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide?
The CAS number of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide is 607696-50-4.
What is the molecular formula of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide?
The molecular formula of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide is C19H19N3OS.
What is the molecular weight of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide?
The molecular weight of 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide is 337.12 g/mol.
Where can I buy 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide?
You can request a quote for 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-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-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.