2-(Acetyloxy)propanal
TL;DR: 2-(Acetyloxy)propanal (CAS 22094-23-1) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-oxopropan-2-yl acetate
Also Known As: 2-acetoxypropanal, 1-oxopropan-2-yl acetate, 1-Formylethyl acetate, -2-Acetoxypropanal, 1-formylethylacetate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
| SMILES | CC(C=O)OC(=O)C |
| InChIKey | FXPPNKAYSGWCQG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Acetyloxy)propanal
Property Insights of 2-(Acetyloxy)propanal
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)propanal. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(Acetyloxy)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetyloxy)propanal 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
What is the CAS number of 2-(Acetyloxy)propanal?
The CAS number of 2-(Acetyloxy)propanal is 22094-23-1.
What is the molecular formula of 2-(Acetyloxy)propanal?
The molecular formula of 2-(Acetyloxy)propanal is C5H8O3.
What is the molecular weight of 2-(Acetyloxy)propanal?
The molecular weight of 2-(Acetyloxy)propanal is 116.04734 g/mol.
Where can I buy 2-(Acetyloxy)propanal?
You can request a quote for 2-(Acetyloxy)propanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Acetyloxy)propanal?
Yes, CoreyChem provides custom synthesis services for 2-(Acetyloxy)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.