4-Acetylpyrrolidine-2,3,5-trione
TL;DR: 4-Acetylpyrrolidine-2,3,5-trione (CAS 98139-09-4) is a chemical compound with molecular formula C6H5NO4 and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylpyrrolidine-2,3,5-trione
Also Known As: 4-acetylpyrrolidine-2,3,5-trione, 4-Acetyl-2,3,5-pyrrolidinetrione, Oxalacetimide, 3-acetyl- (6CI), NCI60_010088
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 98139-09-4 |
|---|---|
| SMILES | CC(=O)C1C(=O)C(=O)NC1=O |
| InChIKey | WWWXEUMPTSJKBO-UHFFFAOYSA-N |
Product Overview
4-Acetylpyrrolidine-2,3,5-trione (CAS 98139-09-4), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 4-acetylpyrrolidine-2,3,5-trione.
Chemical Property Profile of 4-Acetylpyrrolidine-2,3,5-trione
Property Insights of 4-Acetylpyrrolidine-2,3,5-trione
The XLogP value of -0.9 indicates that 4-Acetylpyrrolidine-2,3,5-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylpyrrolidine-2,3,5-trione. Following Lipinski's Rule of Five, 4-Acetylpyrrolidine-2,3,5-trione has 1 hydrogen bond donor(s) and 4 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 4-Acetylpyrrolidine-2,3,5-trione?
The CAS number of 4-Acetylpyrrolidine-2,3,5-trione is 98139-09-4.
What is the molecular formula of 4-Acetylpyrrolidine-2,3,5-trione?
The molecular formula of 4-Acetylpyrrolidine-2,3,5-trione is C6H5NO4.
What is the molecular weight of 4-Acetylpyrrolidine-2,3,5-trione?
The molecular weight of 4-Acetylpyrrolidine-2,3,5-trione is 155.02 g/mol.
Where can I buy 4-Acetylpyrrolidine-2,3,5-trione?
You can request a quote for 4-Acetylpyrrolidine-2,3,5-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylpyrrolidine-2,3,5-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylpyrrolidine-2,3,5-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.