Acetylacetonate
TL;DR: Acetylacetonate (CAS 17272-66-1) is a chemical compound with molecular formula C5H7O2- and molecular weight 99.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-oxopent-2-en-2-olate
Also Known As: Acetylacetonate, Acetyl acetonate, Diacetylmethanide, Diacetylmethaneide, ACAC
| Molecular Formula | C5H7O2- |
|---|---|
| Molecular Weight | 99.04 g/mol |
| LogP | -0.1605 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.0446 |
| Heavy Atoms | 7 |
| Complexity | 98.64778 |
Chemical Identifiers
| CAS Number | 17272-66-1 |
|---|---|
| SMILES | C/C(=C/C(=O)C)/[O-] |
Product Overview
Acetylacetonate (CAS 17272-66-1), with molecular formula C5H7O2- and molecular weight 99.04 g/mol. IUPAC: (Z)-4-oxopent-2-en-2-olate.
Chemical Property Profile of Acetylacetonate
Property Insights of Acetylacetonate
The XLogP value of -0.1605 indicates that Acetylacetonate 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, Acetylacetonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylacetonate 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 Acetylacetonate?
The CAS number of Acetylacetonate is 17272-66-1.
What is the molecular formula of Acetylacetonate?
The molecular formula of Acetylacetonate is C5H7O2-.
What is the molecular weight of Acetylacetonate?
The molecular weight of Acetylacetonate is 99.04 g/mol.
Where can I buy Acetylacetonate?
You can request a quote for Acetylacetonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylacetonate?
Yes, KEHONG BIO provides custom synthesis services for Acetylacetonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.