((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
TL;DR: ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone (CAS 1212100-46-3) is a chemical compound with molecular formula C24H28FNO4 and molecular weight 413.20023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-fluorophenyl)methanone
Also Known As: ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone, [(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-fluorophenyl)methanone, [(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](2-fluorophenyl)methanone
Technical Specifications
| Molecular Formula | C24H28FNO4 |
| Molecular Weight | 413.20023 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.20023 Da |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
| SMILES | COC1=CC(=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4F)O)OC |
| InChIKey | CEJZWDVRJOTLGD-APTRMMRNSA-N |
Chemical Property Profile of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
Property Insights of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
The XLogP value of 3.9 indicates that ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone?
The CAS number of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone is 1212100-46-3.
What is the molecular formula of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone?
The molecular formula of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone is C24H28FNO4.
What is the molecular weight of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone?
The molecular weight of ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone is 413.20023 g/mol.
Where can I buy ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone?
You can request a quote for ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for ((1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.