2-Acetyl-3-oxobutanal
TL;DR: 2-Acetyl-3-oxobutanal (CAS 16690-08-7) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-oxobutanal
Also Known As: 2-acetyl-3-oxobutanal, diacetyl acetaldehyde, 2-acetyl-3-oxo-butanal, 3-formyl-2,4-dioxopentane, J2.739.533C
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 16690-08-7 |
|---|---|
| SMILES | CC(=O)C(C=O)C(=O)C |
| InChIKey | GJSXKXYAFKZUQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-3-oxobutanal (CAS 16690-08-7), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: 2-acetyl-3-oxobutanal.
Chemical Property Profile of 2-Acetyl-3-oxobutanal
Property Insights of 2-Acetyl-3-oxobutanal
The XLogP value of -0.5 indicates that 2-Acetyl-3-oxobutanal 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, 2-Acetyl-3-oxobutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-oxobutanal 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 2-Acetyl-3-oxobutanal?
The CAS number of 2-Acetyl-3-oxobutanal is 16690-08-7.
What is the molecular formula of 2-Acetyl-3-oxobutanal?
The molecular formula of 2-Acetyl-3-oxobutanal is C6H8O3.
What is the molecular weight of 2-Acetyl-3-oxobutanal?
The molecular weight of 2-Acetyl-3-oxobutanal is 128.05 g/mol.
Where can I buy 2-Acetyl-3-oxobutanal?
You can request a quote for 2-Acetyl-3-oxobutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-oxobutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-oxobutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.