Acetoacetaldehyde
TL;DR: Acetoacetaldehyde (CAS 42783-44-8) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutanal
Also Known As: 3-oxobutanal, Acetoacetaldehyde, formylacetone, Butanal, 3-oxo-, acetylacetaldehyde
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | 0.1644 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 65.94833 |
Chemical Identifiers
| CAS Number | 42783-44-8 |
|---|---|
| SMILES | CC(=O)CC=O |
Product Overview
Acetoacetaldehyde (CAS 42783-44-8), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: 3-oxobutanal.
Chemical Property Profile of Acetoacetaldehyde
Property Insights of Acetoacetaldehyde
The XLogP value of 0.1644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoacetaldehyde. With a topological polar surface area (TPSA) of 34.14 Ų, Acetoacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoacetaldehyde 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 Acetoacetaldehyde?
The CAS number of Acetoacetaldehyde is 42783-44-8.
What is the molecular formula of Acetoacetaldehyde?
The molecular formula of Acetoacetaldehyde is C4H6O2.
What is the molecular weight of Acetoacetaldehyde?
The molecular weight of Acetoacetaldehyde is 86.04 g/mol.
Where can I buy Acetoacetaldehyde?
You can request a quote for Acetoacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.