(4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone (CAS 1212221-39-0) is a chemical compound with molecular formula C16H20FNO2 and molecular weight 277.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-fluorophenyl)methanone
Also Known As: (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone, [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-fluorophenyl)methanone
Technical Specifications
| Molecular Formula | C16H20FNO2 |
| Molecular Weight | 277.1478 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.1478 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)C3=CC=C(C=C3)F)O |
| InChIKey | DKNHVSDNLYXIFN-BBRMVZONSA-N |
Chemical Property Profile of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone. With a topological polar surface area (TPSA) of 40.5 Ų, (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone has 1 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 (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 1212221-39-0.
What is the molecular formula of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is C16H20FNO2.
What is the molecular weight of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 277.1478 g/mol.
Where can I buy (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (4-fluorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.