![2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide structure](/static/products/3857/385786-71-0.webp)
2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide
TL;DR: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide (CAS 385786-71-0) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide
Also Known As: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide, VU0509929-1, F3129-0199, AF-399/40857374, 2-((4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N,N-diethylacetamide
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.35498 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 617.6732 |
Chemical Identifiers
| CAS Number | 385786-71-0 |
|---|---|
| SMILES | CCC1=NC(=C(C2=C1CCCC2)C#N)SCC(=O)N(CC)CC |
Product Overview
2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide (CAS 385786-71-0), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide
Property Insights of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide
The XLogP value of 3.35498 indicates that 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide has 0 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-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide?
The CAS number of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide is 385786-71-0.
What is the molecular formula of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide?
The molecular formula of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide is C18H25N3OS.
What is the molecular weight of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide?
The molecular weight of 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide is 331.17 g/mol.
Where can I buy 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide?
You can request a quote for 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide 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-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.