6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol
TL;DR: 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol (CAS 113982-73-3) is a chemical compound with molecular formula C12H12N2O5 and molecular weight 264.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-1-methyl-4-nitro-2H-isoquinolin-3-one
Also Known As: 6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-ol, 6,7-dimethoxy-1-methyl-4-nitro-2H-isoquinolin-3-one, 3-Hydroxy-6,7-dimethoxy-1-methyl-4-nitroisoquinoline, 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-4-nitro-, 6,7-Dimethoxy-1-methyl-4-nitro-3(2h)-isoquinolinone
Technical Specifications
| Molecular Formula | C12H12N2O5 |
| Molecular Weight | 264.07462 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07462 Da |
| Heavy Atoms | 19 |
| Complexity | 590.0 |
| SMILES | CC1=C2C=C(C(=CC2=C(C(=O)N1)[N+](=O)[O-])OC)OC |
| InChIKey | UXHUJNKOWBDSNR-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol
Property Insights of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol?
The CAS number of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol is 113982-73-3.
What is the molecular formula of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol?
The molecular formula of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol is C12H12N2O5.
What is the molecular weight of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol?
The molecular weight of 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol is 264.07462 g/mol.
Where can I buy 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol?
You can request a quote for 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol?
Yes, CoreyChem provides custom synthesis services for 6,7-Dimethoxy-1-methyl-4-nitroisoquinolin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.