Isoquinoline-1,3,4-trione
TL;DR: Isoquinoline-1,3,4-trione (CAS 521-73-3) is a chemical compound with molecular formula C9H5NO3 and molecular weight 175.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinoline-1,3,4-trione
Also Known As: Phthalonimide, isoquinoline-1,3,4(2H)-trione, isoquinoline-1,3,4-trione, 1,3,4(2H)-Isoquinolinetrione, Phenyllithium
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5NO3 |
| Molecular Weight | 175.02695 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.02695 Da |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)NC2=O |
| InChIKey | YIOFGHHAURBGSJ-UHFFFAOYSA-N |
Product Description
Applications: Isoquinoline-1,3,4-trione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoquinoline-1,3,4-trione (CAS 521-73-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Isoquinoline-1,3,4-trione (CAS 521-73-3) has the molecular formula C9H5NO3 and a molecular weight of 175.03 g/mol. It is also known as Phthalonimide and isoquinoline-1,3,4(2H)-trione.
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 Isoquinoline-1,3,4-trione
Property Insights of Isoquinoline-1,3,4-trione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-1,3,4-trione. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline-1,3,4-trione. Following Lipinski's Rule of Five, Isoquinoline-1,3,4-trione 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 Isoquinoline-1,3,4-trione?
The CAS number of Isoquinoline-1,3,4-trione is 521-73-3.
What is the molecular formula of Isoquinoline-1,3,4-trione?
The molecular formula of Isoquinoline-1,3,4-trione is C9H5NO3.
What is the molecular weight of Isoquinoline-1,3,4-trione?
The molecular weight of Isoquinoline-1,3,4-trione is 175.02695 g/mol.
What are the applications of Isoquinoline-1,3,4-trione?
Isoquinoline-1,3,4-trione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoquinoline-1,3,4-trione...
Where can I buy Isoquinoline-1,3,4-trione?
You can request a quote for Isoquinoline-1,3,4-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline-1,3,4-trione?
Yes, CoreyChem provides custom synthesis services for Isoquinoline-1,3,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.