5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one
TL;DR: 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one (CAS 850906-92-2) is a chemical compound with molecular formula C23H19ClFNO2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
Also Known As: 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one, F0556-0511, 5-[(4-chlorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-1-one, 5-[(4-chlorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
| Molecular Formula | C23H19ClFNO2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 5.2566 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.10883 |
| Heavy Atoms | 28 |
| Complexity | 1003.7391 |
Chemical Identifiers
| CAS Number | 850906-92-2 |
|---|---|
| SMILES | C1CN(C(=O)C2=C1C(=CC=C2)OCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4F |
Product Overview
5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one (CAS 850906-92-2), with molecular formula C23H19ClFNO2 and molecular weight 395.11 g/mol. IUPAC: 5-[(4-chlorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one
Property Insights of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one
The XLogP value of 5.2566 indicates that 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one?
The CAS number of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one is 850906-92-2.
What is the molecular formula of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one?
The molecular formula of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one is C23H19ClFNO2.
What is the molecular weight of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one?
The molecular weight of 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one is 395.11 g/mol.
Where can I buy 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one?
You can request a quote for 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-chlorobenzyl)oxy)-2-(2-fluorobenzyl)-3,4-dihydroisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.