7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione
TL;DR: 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione (CAS 59493-94-6) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-2,6-dimethylisoquinoline-3,5,8-trione
Also Known As: Mimosamycin, mimosamysin, BXQZTMMXFKFJIY-UHFFFAOYSA-, 7-methoxy-2,6-dimethylisoquinoline-3,5,8-trione, 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 537.0 |
| SMILES | CC1=C(C(=O)C2=CN(C(=O)C=C2C1=O)C)OC |
| InChIKey | BXQZTMMXFKFJIY-UHFFFAOYSA-N |
Chemical Property Profile of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione
Property Insights of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione
The XLogP value of -0.1 indicates that 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione. Following Lipinski's Rule of Five, 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione 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
What is the CAS number of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione?
The CAS number of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione is 59493-94-6.
What is the molecular formula of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione?
The molecular formula of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione is C12H11NO4.
What is the molecular weight of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione?
The molecular weight of 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione is 233.0688 g/mol.
Where can I buy 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione?
You can request a quote for 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione?
Yes, CoreyChem provides custom synthesis services for 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.