7,8-Dimethoxyisoquinoline
TL;DR: 7,8-Dimethoxyisoquinoline (CAS 16503-95-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxyisoquinoline
Also Known As: 7,8-dimethoxyisoquinoline, Isobackebergine, Papaverine Impurity 45, Isoquinoline, 7,8-dimethoxy-, 7,8-dimethoxy-isoquinoline
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 16503-95-0 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=CN=C2)OC |
| InChIKey | XGJLSAKJANGFSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8-Dimethoxyisoquinoline (CAS 16503-95-0), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 7,8-dimethoxyisoquinoline.
Chemical Property Profile of 7,8-Dimethoxyisoquinoline
Property Insights of 7,8-Dimethoxyisoquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethoxyisoquinoline. With a topological polar surface area (TPSA) of 31.4 Ų, 7,8-Dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-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 7,8-Dimethoxyisoquinoline?
The CAS number of 7,8-Dimethoxyisoquinoline is 16503-95-0.
What is the molecular formula of 7,8-Dimethoxyisoquinoline?
The molecular formula of 7,8-Dimethoxyisoquinoline is C11H11NO2.
What is the molecular weight of 7,8-Dimethoxyisoquinoline?
The molecular weight of 7,8-Dimethoxyisoquinoline is 189.08 g/mol.
Where can I buy 7,8-Dimethoxyisoquinoline?
You can request a quote for 7,8-Dimethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.