2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
TL;DR: 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902026-86-2) is a chemical compound with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
| Molecular Formula | C19H20BrNO4 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 3.43 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.05756 |
| Heavy Atoms | 25 |
| Complexity | 760.7646 |
Chemical Identifiers
| CAS Number | 902026-86-2 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=CC=C(C=C3)Br)OC |
Product Overview
2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902026-86-2), with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol. IUPAC: 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Property Insights of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
The XLogP value of 3.43 indicates that 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone has 0 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 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The CAS number of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 902026-86-2.
What is the molecular formula of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular formula of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C19H20BrNO4.
What is the molecular weight of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular weight of 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 405.06 g/mol.
Where can I buy 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
You can request a quote for 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.