1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
TL;DR: 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol (CAS 1005103-72-9) is a chemical compound with molecular formula C23H26FNO3 and molecular weight 383.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol, 1-(benzo[d][1,3]dioxol-5-yl)-2-(3-fluorobenzyl)decahydroisoquinolin-4a-ol, 1-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol, Opera_ID_896
| Molecular Formula | C23H26FNO3 |
|---|---|
| Molecular Weight | 383.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.18967 |
| Heavy Atoms | 28 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 1005103-72-9 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F)O |
| InChIKey | ORZUIMGMXAQGPX-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol (CAS 1005103-72-9), with molecular formula C23H26FNO3 and molecular weight 383.19 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Property Insights of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
The XLogP value of 4.2 indicates that 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)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 41.9 Ų, 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol 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
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The CAS number of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is 1005103-72-9.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is C23H26FNO3.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is 383.19 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)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 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.