1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
TL;DR: 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (CAS 51449-10-6) is a chemical compound with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Also Known As: Bromopapaverine, 1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline, 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline, J1.375.158G, AO-080/42479643
| Molecular Formula | C20H20BrNO4 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 4.6225 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.05756 |
| Heavy Atoms | 26 |
| Complexity | 942.7328 |
Chemical Identifiers
| CAS Number | 51449-10-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3Br)OC)OC)OC |
Product Overview
1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (CAS 51449-10-6), with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol. IUPAC: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
Property Insights of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
The XLogP value of 4.6225 indicates that 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline 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-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline?
The CAS number of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline is 51449-10-6.
What is the molecular formula of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline?
The molecular formula of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline is C20H20BrNO4.
What is the molecular weight of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline?
The molecular weight of 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline is 417.06 g/mol.
Where can I buy 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline?
You can request a quote for 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.