(1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
TL;DR: (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 958845-93-7) is a chemical compound with molecular formula C23H28FNO3 and molecular weight 385.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,8aS)-2-[(2-fluorophenyl)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-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol, (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol, (1R,4aS,8aS)-2-[(2-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
| Molecular Formula | C23H28FNO3 |
|---|---|
| Molecular Weight | 385.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.20532 |
| Heavy Atoms | 28 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 958845-93-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC4=CC=CC=C4F)O)O |
| InChIKey | NAGZFNUFYITIPH-TZYHBYERSA-N |
Product Overview
(1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 958845-93-7), with molecular formula C23H28FNO3 and molecular weight 385.21 g/mol. IUPAC: (1R,4aS,8aS)-2-[(2-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
Chemical Property Profile of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Property Insights of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
The XLogP value of 4.0 indicates that (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-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-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The CAS number of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 958845-93-7.
What is the molecular formula of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular formula of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol is C23H28FNO3.
What is the molecular weight of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular weight of (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 385.21 g/mol.
Where can I buy (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
You can request a quote for (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.