6,7-Dimethoxyisoquinoline-1-carbaldehyde
TL;DR: 6,7-Dimethoxyisoquinoline-1-carbaldehyde (CAS 7149-66-8) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxyisoquinoline-1-carbaldehyde
Also Known As: 6,7-dimethoxyisoquinoline-1-carbaldehyde, 1-formyl 6,7-dimethoxy isoquinoline, 6,7-dimethoxyisoquinoline-1-carboxaldehyde, 1-Isoquinolinecarboxaldehyde, 6,7-dimethoxy-
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7149-66-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2C=O)OC |
| InChIKey | UHZKUBULBNDNTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dimethoxyisoquinoline-1-carbaldehyde (CAS 7149-66-8), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 6,7-dimethoxyisoquinoline-1-carbaldehyde.
Chemical Property Profile of 6,7-Dimethoxyisoquinoline-1-carbaldehyde
Property Insights of 6,7-Dimethoxyisoquinoline-1-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxyisoquinoline-1-carbaldehyde. With a topological polar surface area (TPSA) of 48.4 Ų, 6,7-Dimethoxyisoquinoline-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxyisoquinoline-1-carbaldehyde 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 6,7-Dimethoxyisoquinoline-1-carbaldehyde?
The CAS number of 6,7-Dimethoxyisoquinoline-1-carbaldehyde is 7149-66-8.
What is the molecular formula of 6,7-Dimethoxyisoquinoline-1-carbaldehyde?
The molecular formula of 6,7-Dimethoxyisoquinoline-1-carbaldehyde is C12H11NO3.
What is the molecular weight of 6,7-Dimethoxyisoquinoline-1-carbaldehyde?
The molecular weight of 6,7-Dimethoxyisoquinoline-1-carbaldehyde is 217.07 g/mol.
Where can I buy 6,7-Dimethoxyisoquinoline-1-carbaldehyde?
You can request a quote for 6,7-Dimethoxyisoquinoline-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxyisoquinoline-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxyisoquinoline-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.