Diethyl 2-benzoylmalonate
TL;DR: Diethyl 2-benzoylmalonate (CAS 109055-32-5) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-benzoylpropanedioate
Also Known As: Diethyl 2-benzoylmalonate, Diethyl benzoylmalonate, diethyl 2-benzoylpropanedioate, Benzoylmalonic Acid Diethyl Ester, diethylbenzoylmalonate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16O5 |
| Molecular Weight | 264.09976 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.09976 Da |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC |
| InChIKey | RIQBATDJIKIMBM-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-benzoylmalonate
Property Insights of Diethyl 2-benzoylmalonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-benzoylmalonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-benzoylmalonate. Following Lipinski's Rule of Five, Diethyl 2-benzoylmalonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 2-benzoylmalonate?
The CAS number of Diethyl 2-benzoylmalonate is 109055-32-5.
What is the molecular formula of Diethyl 2-benzoylmalonate?
The molecular formula of Diethyl 2-benzoylmalonate is C14H16O5.
What is the molecular weight of Diethyl 2-benzoylmalonate?
The molecular weight of Diethyl 2-benzoylmalonate is 264.09976 g/mol.
Where can I buy Diethyl 2-benzoylmalonate?
You can request a quote for Diethyl 2-benzoylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-benzoylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-benzoylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.