(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile
TL;DR: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile (CAS 160446-14-0) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
Also Known As: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile, 3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolineacetonitrile, 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile, 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.58548 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 451.46808 |
Chemical Identifiers
| CAS Number | 160446-14-0 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)CC#N)OC |
Product Overview
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile (CAS 160446-14-0), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile.
Chemical Property Profile of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile
Property Insights of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile
The XLogP value of 1.58548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile. With a topological polar surface area (TPSA) of 45.49 Ų, (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile 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 (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile?
The CAS number of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile is 160446-14-0.
What is the molecular formula of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile?
The molecular formula of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile is C13H16N2O2.
What is the molecular weight of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile?
The molecular weight of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile is 232.12 g/mol.
Where can I buy (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile?
You can request a quote for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.