3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
TL;DR: 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline (CAS 82552-22-5) is a chemical compound with molecular formula C21H23NO4 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
Also Known As: ChemDiv2_000549, BAS 01280329, 3-(3,4-dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline, 3-(3,4-Dimethoxy-phenyl)-1-ethyl-6,7-dimethoxy-isoquinoline
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.4986 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 936.9327 |
Chemical Identifiers
| CAS Number | 82552-22-5 |
|---|---|
| SMILES | CCC1=NC(=CC2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline (CAS 82552-22-5), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
Property Insights of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
The XLogP value of 4.4986 indicates that 3-(3,4-Dimethoxyphenyl)-1-ethyl-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, 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-1-ethyl-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 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline?
The CAS number of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline is 82552-22-5.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline is C21H23NO4.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline is 353.16 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-1-ethyl-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 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.