戊三酮
TL;DR: 戊三酮 (CAS 921-11-9) is a chemical compound with molecular formula CC(=O)C(=O)C(=O)C and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊三酮
pentane-2,3,4-trione
Also Known As: 2,3,4-Pentanetrione, pentane-2,3,4-trione, 2,4-Pentanetrione, CH3(CO)3CH3, RefChem:81298
| Molecular Formula | CC(=O)C(=O)C(=O)C |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 921-11-9 |
|---|---|
| SMILES | CC(=O)C(=O)C(=O)C |
| InChIKey | MVDYEFQVZNBPPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊三酮 (CAS 921-11-9), with molecular formula CC(=O)C(=O)C(=O)C and molecular weight 114.03 g/mol. IUPAC: pentane-2,3,4-trione.
Chemical Property Profile of 戊三酮
Property Insights of 戊三酮
The XLogP value of -0.5 indicates that 戊三酮 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, 戊三酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊三酮 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
Frequently Asked Questions
What is the CAS number of 戊三酮?
The CAS number of 戊三酮 is 921-11-9.
What is the molecular formula of 戊三酮?
The molecular formula of 戊三酮 is CC(=O)C(=O)C(=O)C.
What is the molecular weight of 戊三酮?
The molecular weight of 戊三酮 is 114.03 g/mol.
Where can I buy 戊三酮?
You can request a quote for 戊三酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊三酮?
Yes, KEHONG BIO provides custom synthesis services for 戊三酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.