Ethyl 2-benzyl-3-oxopropanoate
TL;DR: Ethyl 2-benzyl-3-oxopropanoate (CAS 2016-00-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-3-oxopropanoate
Also Known As: Ethyl 2-benzyl-3-oxopropanoate, ethyl 2-formyl-3-phenylpropionate, Ethyl 2-benzyl-3-oxopropanoate #, Ethyl 2-formyl-3-phenylpropanoate, 2-Formyl-3-phenyl-propionic acid ethyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 2016-00-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C=O |
| InChIKey | QHBTZSFSMHRNCB-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-oxopropanoate (CAS 2016-00-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 2-benzyl-3-oxopropanoate.
Chemical Property Profile of Ethyl 2-benzyl-3-oxopropanoate
Property Insights of Ethyl 2-benzyl-3-oxopropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-benzyl-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-benzyl-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzyl-3-oxopropanoate 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-oxopropanoate?
The CAS number of Ethyl 2-benzyl-3-oxopropanoate is 2016-00-4.
What is the molecular formula of Ethyl 2-benzyl-3-oxopropanoate?
The molecular formula of Ethyl 2-benzyl-3-oxopropanoate is C12H14O3.
What is the molecular weight of Ethyl 2-benzyl-3-oxopropanoate?
The molecular weight of Ethyl 2-benzyl-3-oxopropanoate is 206.09 g/mol.
Where can I buy Ethyl 2-benzyl-3-oxopropanoate?
You can request a quote for Ethyl 2-benzyl-3-oxopropanoate 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-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzyl-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.