Methyl 3-oxo-3-phenylpropionate
TL;DR: Methyl 3-oxo-3-phenylpropionate (CAS 50998-43-1) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propanoyl benzoate
Also Known As: Methyl benzoyl acetate, propanoyl benzoate, benzoylpropionate, Peplidiforone D, methylbenzoylacetate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
| SMILES | CCC(=O)OC(=O)C1=CC=CC=C1 |
| InChIKey | KZTMCBOPTQHICJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-oxo-3-phenylpropionate
Property Insights of Methyl 3-oxo-3-phenylpropionate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-3-phenylpropionate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-oxo-3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxo-3-phenylpropionate 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 Methyl 3-oxo-3-phenylpropionate?
The CAS number of Methyl 3-oxo-3-phenylpropionate is 50998-43-1.
What is the molecular formula of Methyl 3-oxo-3-phenylpropionate?
The molecular formula of Methyl 3-oxo-3-phenylpropionate is C10H10O3.
What is the molecular weight of Methyl 3-oxo-3-phenylpropionate?
The molecular weight of Methyl 3-oxo-3-phenylpropionate is 178.06299 g/mol.
Where can I buy Methyl 3-oxo-3-phenylpropionate?
You can request a quote for Methyl 3-oxo-3-phenylpropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-oxo-3-phenylpropionate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-oxo-3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.