乙酰丙酮钠
TL;DR: 乙酰丙酮钠 (CAS 86891-03-4) is a chemical compound with molecular formula C5H7NaO2 and molecular weight 122.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰丙酮钠
sodium (Z)-4-oxopent-2-en-2-olate
Also Known As: Acetyl acetonate, Sodium acetylacetonate hydrate, SODIUM ACETYLACETONATE, Sodium 2,4-pentanedionate, SODIUM ACETYL ACETONATE
| Molecular Formula | C5H7NaO2 |
|---|---|
| Molecular Weight | 122.03 g/mol |
| LogP | -3.1565 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.03437 |
| Heavy Atoms | 8 |
| Complexity | 102.9963 |
Chemical Identifiers
| CAS Number | 86891-03-4 |
|---|---|
| SMILES | C/C(=C/C(=O)C)/[O-].[Na+] |
Product Overview
乙酰丙酮钠 (CAS 86891-03-4), with molecular formula C5H7NaO2 and molecular weight 122.03 g/mol. IUPAC: sodium (Z)-4-oxopent-2-en-2-olate.
Chemical Property Profile of 乙酰丙酮钠
Property Insights of 乙酰丙酮钠
The XLogP value of -3.1565 indicates that 乙酰丙酮钠 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, 乙酰丙酮钠 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰丙酮钠 has 0 hydrogen bond donor(s) and 2 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 乙酰丙酮钠?
The CAS number of 乙酰丙酮钠 is 86891-03-4.
What is the molecular formula of 乙酰丙酮钠?
The molecular formula of 乙酰丙酮钠 is C5H7NaO2.
What is the molecular weight of 乙酰丙酮钠?
The molecular weight of 乙酰丙酮钠 is 122.03 g/mol.
Where can I buy 乙酰丙酮钠?
You can request a quote for 乙酰丙酮钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰丙酮钠?
Yes, KEHONG BIO provides custom synthesis services for 乙酰丙酮钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.