1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline (CAS 3407-72-5) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxyisoquinoline, 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinoline, 1-(2H-1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 3407-72-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)OC |
| InChIKey | FLQMVWIFVMVFCS-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline (CAS 3407-72-5), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline
The XLogP value of 3.8 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline is 3407-72-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline is C19H17NO4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline is 323.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.