7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline
TL;DR: 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline (CAS 114130-63-1) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-ethoxy-6-methoxy-1-methyl-2H-isoquinolin-3-one
Also Known As: 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline, 7-ethoxy-6-methoxy-1-methyl-2H-isoquinolin-3-one, 7-Ethoxy-6-methoxy-1-methyl-3(2h)-isoquinolinone, 3(2H)-Isoquinolinone, 7-ethoxy-6-methoxy-1-methyl-
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 481.0 |
| SMILES | CCOC1=CC2=C(NC(=O)C=C2C=C1OC)C |
| InChIKey | DALHHMBTAGQKTH-UHFFFAOYSA-N |
Chemical Property Profile of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline
Property Insights of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline. With a topological polar surface area (TPSA) of 47.6 Ų, 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline?
The CAS number of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline is 114130-63-1.
What is the molecular formula of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline?
The molecular formula of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline is C13H15NO3.
What is the molecular weight of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline?
The molecular weight of 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline is 233.1052 g/mol.
Where can I buy 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline?
You can request a quote for 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline?
Yes, CoreyChem provides custom synthesis services for 7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.