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 175.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H5NO3 |
|---|---|
| Molecular Weight | 175.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.02695 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 521-73-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)NC2=O |
| InChIKey | YIOFGHHAURBGSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-1,3,4-trione (CAS 521-73-3), with molecular formula C9H5NO3 and molecular weight 175.03 g/mol. IUPAC: isoquinoline-1,3,4-trione.
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
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 175.03 g/mol.
Where can I buy Isoquinoline-1,3,4-trione?
You can request a quote for Isoquinoline-1,3,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-1,3,4-trione?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-1,3,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.