1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
TL;DR: 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol (CAS 1007934-78-2) is a chemical compound with molecular formula C24H30FNO3 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)decahydroisoquinolin-4a-ol, 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol, 1-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
| Molecular Formula | C24H30FNO3 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 4.7112 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.22098 |
| Heavy Atoms | 29 |
| Complexity | 857.7695 |
Chemical Identifiers
| CAS Number | 1007934-78-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3CCCCC3(CCN2CC4=CC(=CC=C4)F)O)OC |
Product Overview
1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol (CAS 1007934-78-2), with molecular formula C24H30FNO3 and molecular weight 399.22 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
Chemical Property Profile of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Property Insights of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
The XLogP value of 4.7112 indicates that 1-(3,4-dimethoxyphenyl)-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 41.93 Ų, 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol has 1 hydrogen bond donor(s) and 4 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-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The CAS number of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is 1007934-78-2.
What is the molecular formula of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The molecular formula of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is C24H30FNO3.
What is the molecular weight of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
The molecular weight of 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol is 399.22 g/mol.
Where can I buy 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
You can request a quote for 1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenyl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.