1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone
TL;DR: 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone (CAS 486426-07-7) is a chemical compound with molecular formula C26H26FNO5 and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
Also Known As: 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone, F0535-0026, 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone, 1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenoxyethan-1-one, 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone
| Molecular Formula | C26H26FNO5 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 4.4267 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.1795 |
| Heavy Atoms | 33 |
| Complexity | 1087.8413 |
Chemical Identifiers
| CAS Number | 486426-07-7 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)COC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC |
Product Overview
1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone (CAS 486426-07-7), with molecular formula C26H26FNO5 and molecular weight 451.18 g/mol. IUPAC: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone.
Chemical Property Profile of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone
Property Insights of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone
The XLogP value of 4.4267 indicates that 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone 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-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone has 0 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-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone?
The CAS number of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone is 486426-07-7.
What is the molecular formula of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone?
The molecular formula of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone is C26H26FNO5.
What is the molecular weight of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone?
The molecular weight of 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone is 451.18 g/mol.
Where can I buy 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone?
You can request a quote for 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.