1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline
TL;DR: 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline (CAS 180386-76-9) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)-methoxymethyl]-6,7-dimethoxyisoquinoline
Also Known As: Setigerine, 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline, 1-(alpha,3,4-Trimethoxybenzyl)-6,7-dimethoxyisoquinoline, 1-[(3,4-Dimethoxyphenyl)(methoxy)methyl]-6,7-dimethoxyisoquinoline, 6,7-Dimethoxy-1-(3,4,alpha-trimethoxybenzyl)isoquinoline
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 180386-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
| InChIKey | MNBJQMJWRBOBEX-UHFFFAOYSA-N |
Product Overview
1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline (CAS 180386-76-9), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)-methoxymethyl]-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline
Property Insights of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline
The XLogP value of 3.4 indicates that 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline has 0 hydrogen bond donor(s) and 6 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-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline?
The CAS number of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline is 180386-76-9.
What is the molecular formula of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline?
The molecular formula of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline is C21H23NO5.
What is the molecular weight of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline?
The molecular weight of 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline is 369.16 g/mol.
Where can I buy 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline?
You can request a quote for 1-((3,4-Dimethoxyphenyl)methoxymethyl)-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-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.