Methyl phenylglyoxalate
TL;DR: Methyl phenylglyoxalate (CAS 15206-55-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-oxo-2-phenylacetate
Also Known As: Methyl benzoylformate, methyl 2-oxo-2-phenylacetate, Methyl phenylglyoxalate, Methyl oxophenylacetate, Methyl phenylglyoxylate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.04735 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.04735 Da |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
| SMILES | COC(=O)C(=O)C1=CC=CC=C1 |
| InChIKey | YLHXLHGIAMFFBU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl phenylglyoxalate
Property Insights of Methyl phenylglyoxalate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylglyoxalate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl phenylglyoxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenylglyoxalate 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 phenylglyoxalate?
The CAS number of Methyl phenylglyoxalate is 15206-55-0.
What is the molecular formula of Methyl phenylglyoxalate?
The molecular formula of Methyl phenylglyoxalate is C9H8O3.
What is the molecular weight of Methyl phenylglyoxalate?
The molecular weight of Methyl phenylglyoxalate is 164.04735 g/mol.
Where can I buy Methyl phenylglyoxalate?
You can request a quote for Methyl phenylglyoxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl phenylglyoxalate?
Yes, CoreyChem provides custom synthesis services for Methyl phenylglyoxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.