Benzoylacetaldehyde
TL;DR: Benzoylacetaldehyde (CAS 153974-13-1) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-3-phenylpropanal
Also Known As: benzoylacetaldehyde, 3-Oxo-3-phenylpropanal, 3-Phenyl-3-oxopropanal, beta-Oxobenzenepropanal, Benzenepropanal, b-oxo-
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.05243 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.05243 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC=O |
| InChIKey | HCSDAMGBOVWGEO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoylacetaldehyde
Property Insights of Benzoylacetaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylacetaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, Benzoylacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylacetaldehyde 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
What is the CAS number of Benzoylacetaldehyde?
The CAS number of Benzoylacetaldehyde is 153974-13-1.
What is the molecular formula of Benzoylacetaldehyde?
The molecular formula of Benzoylacetaldehyde is C9H8O2.
What is the molecular weight of Benzoylacetaldehyde?
The molecular weight of Benzoylacetaldehyde is 148.05243 g/mol.
Where can I buy Benzoylacetaldehyde?
You can request a quote for Benzoylacetaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoylacetaldehyde?
Yes, CoreyChem provides custom synthesis services for Benzoylacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.