(1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol
TL;DR: (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol (CAS 1212487-59-6) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.17578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4aS,8aS)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol, (1R,4aS,8aS)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Technical Specifications
| Molecular Formula | C23H28ClNO3 |
| Molecular Weight | 401.17578 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.17578 Da |
| Heavy Atoms | 28 |
| Complexity | 520.0 |
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC4=CC=CC=C4Cl)O)O |
| InChIKey | YQITXDDUZAGSSZ-TZYHBYERSA-N |
Chemical Property Profile of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol
Property Insights of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol
The XLogP value of 4.5 indicates that (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol has 2 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 (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol?
The CAS number of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol is 1212487-59-6.
What is the molecular formula of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol?
The molecular formula of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol is C23H28ClNO3.
What is the molecular weight of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol?
The molecular weight of (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol is 401.17578 g/mol.
Where can I buy (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol?
You can request a quote for (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol?
Yes, CoreyChem provides custom synthesis services for (1R,4aS,8aS)-2-(2-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.