(1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone
TL;DR: (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone (CAS 672887-11-5) is a chemical compound with molecular formula C31H36FNO5 and molecular weight 521.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
Also Known As: (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone, [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](4-fluorophenyl)methanone, [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
| Molecular Formula | C31H36FNO5 |
|---|---|
| Molecular Weight | 521.26 g/mol |
| LogP | 6.4028 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 521.25775 |
| Heavy Atoms | 38 |
| Complexity | 1243.7625 |
Chemical Identifiers
| CAS Number | 672887-11-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)F)OCC)OCC)OCC |
Product Overview
(1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone (CAS 672887-11-5), with molecular formula C31H36FNO5 and molecular weight 521.26 g/mol. IUPAC: [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone
Property Insights of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone
The XLogP value of 6.4028 indicates that (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone?
The CAS number of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone is 672887-11-5.
What is the molecular formula of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone?
The molecular formula of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone is C31H36FNO5.
What is the molecular weight of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone?
The molecular weight of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone is 521.26 g/mol.
Where can I buy (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone?
You can request a quote for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone 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-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.