5,8-Isoquinolinedione
TL;DR: 5,8-Isoquinolinedione (CAS 50-46-4) is a chemical compound with molecular formula C9H5NO2 and molecular weight 159.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinoline-5,8-dione
Also Known As: Isoquinoline-5,8-dione, 5,8-ISOQUINOLINEDIONE, 5,8-Quinolinedione, isoquinoline-5,8-quinone, NCIOpen2_000894
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5NO2 |
| Molecular Weight | 159.03203 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.03203 Da |
| Heavy Atoms | 12 |
| Complexity | 257.0 |
| SMILES | C1=CC(=O)C2=C(C1=O)C=CN=C2 |
| InChIKey | CUPFSRUOCULQSY-UHFFFAOYSA-N |
Product Description
Applications: 5,8-Isoquinolinedione is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5,8-Isoquinolinedione (CAS 50-46-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 5,8-Isoquinolinedione (CAS 50-46-4) has the molecular formula C9H5NO2 and a molecular weight of 159.03 g/mol. It is also known as Isoquinoline-5,8-dione and 5,8-ISOQUINOLINEDIONE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5,8-Isoquinolinedione
Property Insights of 5,8-Isoquinolinedione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Isoquinolinedione. With a topological polar surface area (TPSA) of 47.0 Ų, 5,8-Isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Isoquinolinedione has 0 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 5,8-Isoquinolinedione?
The CAS number of 5,8-Isoquinolinedione is 50-46-4.
What is the molecular formula of 5,8-Isoquinolinedione?
The molecular formula of 5,8-Isoquinolinedione is C9H5NO2.
What is the molecular weight of 5,8-Isoquinolinedione?
The molecular weight of 5,8-Isoquinolinedione is 159.03203 g/mol.
What are the applications of 5,8-Isoquinolinedione?
5,8-Isoquinolinedione is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5,8-Isoquinolinedione (CAS...
Where can I buy 5,8-Isoquinolinedione?
You can request a quote for 5,8-Isoquinolinedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,8-Isoquinolinedione?
Yes, CoreyChem provides custom synthesis services for 5,8-Isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.