1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline
TL;DR: 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline (CAS 55857-56-2) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Sid 3887468, (1-methyl-carbazol-2-yl)-methanol, 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline, 1-(p-Methoxybenzyl)-6,7-methylenedioxyisoquinoline, 1-(4-methoxybenzyl)-6,7-methylenedioxy-isoquinoline
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 55857-56-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NC=CC3=CC4=C(C=C32)OCO4 |
| InChIKey | SJQUHHVDBQGYPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline (CAS 55857-56-2), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline
Property Insights of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline
The XLogP value of 3.8 indicates that 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline 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 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline?
The CAS number of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline is 55857-56-2.
What is the molecular formula of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline?
The molecular formula of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline is C18H15NO3.
What is the molecular weight of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline?
The molecular weight of 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline is 293.11 g/mol.
Where can I buy 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline?
You can request a quote for 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)-6,7-methylenedioxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.