Ethyl 2-benzyl-3-oxo-3-phenylpropanoate
TL;DR: Ethyl 2-benzyl-3-oxo-3-phenylpropanoate (CAS 56409-75-7) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-3-oxo-3-phenylpropanoate
Also Known As: Ethyl 2-benzylbenzoylacetate, ethyl 2-benzyl-3-oxo-3-phenylpropanoate, NCIOpen2_006953, benzylbenzoylacetic acid ethyl ester, 4-(AZEPANE-1-SULFONYL)-BENZOICACID
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 56409-75-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | KSTSKHKQRFGSJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-benzyl-3-oxo-3-phenylpropanoate (CAS 56409-75-7), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: ethyl 2-benzyl-3-oxo-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate
Property Insights of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate
The XLogP value of 4.2 indicates that Ethyl 2-benzyl-3-oxo-3-phenylpropanoate 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 2-benzyl-3-oxo-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzyl-3-oxo-3-phenylpropanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate?
The CAS number of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate is 56409-75-7.
What is the molecular formula of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate?
The molecular formula of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate is C18H18O3.
What is the molecular weight of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate?
The molecular weight of Ethyl 2-benzyl-3-oxo-3-phenylpropanoate is 282.13 g/mol.
Where can I buy Ethyl 2-benzyl-3-oxo-3-phenylpropanoate?
You can request a quote for Ethyl 2-benzyl-3-oxo-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzyl-3-oxo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzyl-3-oxo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.