Ethyl 4-benzoylbenzoate
TL;DR: Ethyl 4-benzoylbenzoate (CAS 1521-06-8) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-benzoylbenzoate
Also Known As: Ethyl 4-benzoylbenzoate, 4-Carboethoxybenzophenone, Ethyl4-benzoylbenzoate, ethyl 4-benzoyl-benzoate, Ethyl 4-benzoylbenzoate #
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.0943 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 Da |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | OTYJRBJRMVNCQV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-benzoylbenzoate
Property Insights of Ethyl 4-benzoylbenzoate
The XLogP value of 4.0 indicates that Ethyl 4-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-benzoylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-benzoylbenzoate 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 Ethyl 4-benzoylbenzoate?
The CAS number of Ethyl 4-benzoylbenzoate is 1521-06-8.
What is the molecular formula of Ethyl 4-benzoylbenzoate?
The molecular formula of Ethyl 4-benzoylbenzoate is C16H14O3.
What is the molecular weight of Ethyl 4-benzoylbenzoate?
The molecular weight of Ethyl 4-benzoylbenzoate is 254.0943 g/mol.
Where can I buy Ethyl 4-benzoylbenzoate?
You can request a quote for Ethyl 4-benzoylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-benzoylbenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.