(5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
TL;DR: (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile (CAS 7713-79-3) 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-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Also Known As: KST-1A8161, (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile, 2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile, 2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonit
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7713-79-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(NCC2)CC#N)OC |
| InChIKey | KSAYFZYVVFNGIK-UHFFFAOYSA-N |
Product Overview
(5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile (CAS 7713-79-3), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile.
Chemical Property Profile of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Property Insights of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 54.3 Ų, (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5,6-Dimethoxy-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 (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The CAS number of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is 7713-79-3.
What is the molecular formula of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The molecular formula of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is C13H16N2O2.
What is the molecular weight of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
The molecular weight of (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile is 232.12 g/mol.
Where can I buy (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
You can request a quote for (5,6-Dimethoxy-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 (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.