6,7,8-Trimethoxyisoquinoline
TL;DR: 6,7,8-Trimethoxyisoquinoline (CAS 54879-45-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8-trimethoxyisoquinoline
Also Known As: 6,7,8-Trimethoxyisoquinoline, Isoquinoline, 6,7,8-trimethoxy-, Isoquinoline, 6,7,8-trimethoxy- (9CI), 6,7,8-Trimethoxy-isochinolin, 6,7,8-trimethoxy-isoquinoline
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 54879-45-7 |
|---|---|
| SMILES | COC1=C(C(=C2C=NC=CC2=C1)OC)OC |
| InChIKey | UPLOKTSIJATUTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7,8-Trimethoxyisoquinoline (CAS 54879-45-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 6,7,8-trimethoxyisoquinoline.
Chemical Property Profile of 6,7,8-Trimethoxyisoquinoline
Property Insights of 6,7,8-Trimethoxyisoquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8-Trimethoxyisoquinoline. With a topological polar surface area (TPSA) of 40.6 Ų, 6,7,8-Trimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7,8-Trimethoxyisoquinoline 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 6,7,8-Trimethoxyisoquinoline?
The CAS number of 6,7,8-Trimethoxyisoquinoline is 54879-45-7.
What is the molecular formula of 6,7,8-Trimethoxyisoquinoline?
The molecular formula of 6,7,8-Trimethoxyisoquinoline is C12H13NO3.
What is the molecular weight of 6,7,8-Trimethoxyisoquinoline?
The molecular weight of 6,7,8-Trimethoxyisoquinoline is 219.09 g/mol.
Where can I buy 6,7,8-Trimethoxyisoquinoline?
You can request a quote for 6,7,8-Trimethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8-Trimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8-Trimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.