3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline
TL;DR: 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline (CAS 69504-68-3) is a chemical compound with molecular formula C17H13Cl2NO2 and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline
Also Known As: 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline, 3-(3,4-dichlorophenyl)-6,7-dimethoxy-isoquinoline
| Molecular Formula | C17H13Cl2NO2 |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.03235 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 69504-68-3 |
|---|---|
| SMILES | COC1=C(C=C2C=NC(=CC2=C1)C3=CC(=C(C=C3)Cl)Cl)OC |
| InChIKey | FERASTJAVKVDSU-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline (CAS 69504-68-3), with molecular formula C17H13Cl2NO2 and molecular weight 333.03 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline
Property Insights of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline
The XLogP value of 5.0 indicates that 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline has 0 hydrogen bond donor(s) and 3 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-Dichlorophenyl)-6,7-dimethoxyisoquinoline?
The CAS number of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline is 69504-68-3.
What is the molecular formula of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline?
The molecular formula of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline is C17H13Cl2NO2.
What is the molecular weight of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline?
The molecular weight of 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline is 333.03 g/mol.
Where can I buy 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline?
You can request a quote for 3-(3,4-Dichlorophenyl)-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-Dichlorophenyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.