![2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide structure](/static/products/3152/315246-76-5.webp)
2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
TL;DR: 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide (CAS 315246-76-5) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Also Known As: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide, 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydro-3-isoquinolinyl)sulfanyl]acetamide, 2-((4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamide
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 315246-76-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)SCC(=O)N)C#N |
| InChIKey | LGVQWXYAWULHME-UHFFFAOYSA-N |
Product Overview
2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide (CAS 315246-76-5), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Property Insights of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
The XLogP value of 3.4 indicates that 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]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-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The CAS number of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is 315246-76-5.
What is the molecular formula of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The molecular formula of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is C18H17N3OS.
What is the molecular weight of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The molecular weight of 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is 323.11 g/mol.
Where can I buy 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
You can request a quote for 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]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-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.