2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
TL;DR: 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile (CAS 170306-62-4) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Also Known As: 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile, 6,7-Diethoxy-1,2,3,4-tetrahydro-1-isoquinoline acetonitrile, 99%, 6,7-Diethoxy-1,2,3,4-tetrahydro-1-isoquinoline acetonitrile, 99per cent, 6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE ACETONITRILE, 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolyl)ethanenitrile
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 2.58448 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 479.7693 |
Chemical Identifiers
| CAS Number | 170306-62-4 |
|---|---|
| SMILES | CCOC1=C(C=C2C(NCCC2=C1)CC#N)OCC |
Product Overview
2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile (CAS 170306-62-4), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile.
Chemical Property Profile of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Property Insights of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
The XLogP value of 2.58448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 54.28 Ų, 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile 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-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The CAS number of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is 170306-62-4.
What is the molecular formula of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The molecular formula of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is C15H20N2O2.
What is the molecular weight of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The molecular weight of 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is 260.15 g/mol.
Where can I buy 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
You can request a quote for 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.