(6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile
TL;DR: (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile (CAS 43052-77-3) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile
Also Known As: TimTec1_001365, 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile, J1.654.768I, 2-(6,7-dimethoxy-3,4-dihydroisoquinolyl)ethanenitrile, (6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)acetonitrile
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 43052-77-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC#N)OC |
| InChIKey | FIIFYAUIXKFDEZ-UHFFFAOYSA-N |
Product Overview
(6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile (CAS 43052-77-3), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile.
Chemical Property Profile of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile
Property Insights of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile. With a topological polar surface area (TPSA) of 54.6 Ų, (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-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-dihydro-isoquinolin-1-yl)-acetonitrile?
The CAS number of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile is 43052-77-3.
What is the molecular formula of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile?
The molecular formula of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile is C13H14N2O2.
What is the molecular weight of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile?
The molecular weight of (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile is 230.11 g/mol.
Where can I buy (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile?
You can request a quote for (6,7-Dimethoxy-3,4-dihydro-isoquinolin-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 (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.