7-Methoxyisoquinoline
TL;DR: 7-Methoxyisoquinoline (CAS 39989-39-4) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxyisoquinoline
Also Known As: 7-Methoxyisoquinoline, 7-Methoxy-isoquinoline, Isoquinoline, 7-methoxy-, Isoquinoline,7-methoxy-, Acetaldehyde semicarbazone
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 39989-39-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=CN=C2 |
| InChIKey | PNNUXNXZDJVGSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methoxyisoquinoline (CAS 39989-39-4), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 7-methoxyisoquinoline.
Chemical Property Profile of 7-Methoxyisoquinoline
Property Insights of 7-Methoxyisoquinoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxyisoquinoline. With a topological polar surface area (TPSA) of 22.1 Ų, 7-Methoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxyisoquinoline has 0 hydrogen bond donor(s) and 2 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-Methoxyisoquinoline?
The CAS number of 7-Methoxyisoquinoline is 39989-39-4.
What is the molecular formula of 7-Methoxyisoquinoline?
The molecular formula of 7-Methoxyisoquinoline is C10H9NO.
What is the molecular weight of 7-Methoxyisoquinoline?
The molecular weight of 7-Methoxyisoquinoline is 159.07 g/mol.
Where can I buy 7-Methoxyisoquinoline?
You can request a quote for 7-Methoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.