1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one
TL;DR: 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one (CAS 153396-89-5) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6,7-dimethoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)pentan-1-one
Also Known As: 1-(6,7-dimethoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)pentan-1-one, 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one
Technical Specifications
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.1991 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.1991 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | CCCCC(=O)N1CC2=CC(=C(C=C2CC1(C)C)OC)OC |
| InChIKey | ORDNTBFIBILHTO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one
Property Insights of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one
The XLogP value of 3.2 indicates that 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one?
The CAS number of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one is 153396-89-5.
What is the molecular formula of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one?
The molecular formula of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one is C18H27NO3.
What is the molecular weight of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one?
The molecular weight of 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one is 305.1991 g/mol.
Where can I buy 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one?
You can request a quote for 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.