1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone
TL;DR: 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone (CAS 1212145-99-7) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-naphthalen-1-ylethanone
Also Known As: 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone, 1-((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-(naphthalen-1-yl)ethanone, 1-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-naphthalen-1-ylethanone, Opera_ID_153
Technical Specifications
| Molecular Formula | C21H25NO2 |
| Molecular Weight | 323.18854 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.18854 Da |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
| SMILES | C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)CC3=CC=CC4=CC=CC=C43)O |
| InChIKey | SZQPESSSZJFZNG-RXVVDRJESA-N |
Chemical Property Profile of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone
Property Insights of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone
The XLogP value of 3.5 indicates that 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone has 1 hydrogen bond donor(s) and 2 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-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone?
The CAS number of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone is 1212145-99-7.
What is the molecular formula of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone?
The molecular formula of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone is C21H25NO2.
What is the molecular weight of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone?
The molecular weight of 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone is 323.18854 g/mol.
Where can I buy 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone?
You can request a quote for 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone?
Yes, CoreyChem provides custom synthesis services for 1-((4aS,8aS)-4a-Hydroxy-octahydro-isoquinolin-2-yl)-2-naphthalen-1-yl-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.