3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide
TL;DR: 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide (CAS 121064-28-6) is a chemical compound with molecular formula C18H25IN2O2 and molecular weight 428.09607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide
Also Known As: 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide, Isoquinolinium, 3,4-dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethyl-, iodide, 1-(3-Cyanopropyl)-6,7-dimethoxy-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide, 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile;iodide, 4-(6,7-dimethoxy-2,3,3-trimethyl-3,4-dihydroisoquinolyl)butanenitrile, iodide
Technical Specifications
| Molecular Formula | C18H25IN2O2 |
| Molecular Weight | 428.09607 g/mol |
| XLogP | 0.16778 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.09607 Da |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
| SMILES | CC1(CC2=CC(=C(C=C2C(=[N+]1C)CCCC#N)OC)OC)C.[I-] |
| InChIKey | SLNBHDIKMYWYCT-UHFFFAOYSA-M |
Chemical Property Profile of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide
Property Insights of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide
The XLogP value of 0.16778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide. With a topological polar surface area (TPSA) of 45.3 Ų, 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide 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
What is the CAS number of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide?
The CAS number of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide is 121064-28-6.
What is the molecular formula of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide?
The molecular formula of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide is C18H25IN2O2.
What is the molecular weight of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide?
The molecular weight of 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide is 428.09607 g/mol.
Where can I buy 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide?
You can request a quote for 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydro-1-(3-cyanopropyl)-6,7-dimethoxy-2,3,3-trimethylisoquinolinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.