1,2,4-Cyclopentanetrione
TL;DR: 1,2,4-Cyclopentanetrione (CAS 15849-14-6) is a chemical compound with molecular formula C5H4O3 and molecular weight 112.016045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclopentane-1,2,4-trione
Also Known As: cyclopentane-1,2,4-trione, 1,2,4-CYCLOPENTANETRIONE, Cyclopentan-1,2,4-trion, ccyclopentane-1,2,4-trione
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4O3 |
| Molecular Weight | 112.016045 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.016045 Da |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
| SMILES | C1C(=O)CC(=O)C1=O |
| InChIKey | PLIKDTHMOISVIW-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Cyclopentanetrione
Property Insights of 1,2,4-Cyclopentanetrione
The XLogP value of -0.6 indicates that 1,2,4-Cyclopentanetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.2 Ų, 1,2,4-Cyclopentanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Cyclopentanetrione 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 1,2,4-Cyclopentanetrione?
The CAS number of 1,2,4-Cyclopentanetrione is 15849-14-6.
What is the molecular formula of 1,2,4-Cyclopentanetrione?
The molecular formula of 1,2,4-Cyclopentanetrione is C5H4O3.
What is the molecular weight of 1,2,4-Cyclopentanetrione?
The molecular weight of 1,2,4-Cyclopentanetrione is 112.016045 g/mol.
Where can I buy 1,2,4-Cyclopentanetrione?
You can request a quote for 1,2,4-Cyclopentanetrione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Cyclopentanetrione?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Cyclopentanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.