6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
TL;DR: 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 840464-06-4) is a chemical compound with molecular formula C25H24FNO3 and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3-one
Also Known As: 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one, 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3-one, 6,7-DIETHOXY-2-(4-FLUOROPHENYL)-1-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-3-ONE, 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,2-dihydroisoquinolin-3(4H)-one
| Molecular Formula | C25H24FNO3 |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 5.3018 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.174 |
| Heavy Atoms | 30 |
| Complexity | 1034.2643 |
Chemical Identifiers
| CAS Number | 840464-06-4 |
|---|---|
| SMILES | CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)F)C4=CC=CC=C4)OCC |
Product Overview
6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 840464-06-4), with molecular formula C25H24FNO3 and molecular weight 405.17 g/mol. IUPAC: 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3-one.
Chemical Property Profile of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
Property Insights of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
The XLogP value of 5.3018 indicates that 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The CAS number of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is 840464-06-4.
What is the molecular formula of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular formula of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is C25H24FNO3.
What is the molecular weight of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular weight of 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is 405.17 g/mol.
Where can I buy 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
You can request a quote for 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-diethoxy-2-(4-fluorophenyl)-1-phenyl-1,4-dihydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.