Ethyl 3-oxo-3-phenylpropanimidoate
TL;DR: Ethyl 3-oxo-3-phenylpropanimidoate (CAS 70582-90-0) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-phenylpropanimidate
Also Known As: 2-Benzoylacetimidsaeure-ethylester, ethyl 3-oxo-3-phenylpropanimidate, Benzoylacetimidic acid ethyl ester, ethyl 3-oxo-3-phenylpropanimidoate, NCI60_006314
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 70582-90-0 |
|---|---|
| SMILES | CCOC(=N)CC(=O)C1=CC=CC=C1 |
| InChIKey | GPQAELPAIMPDHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxo-3-phenylpropanimidoate (CAS 70582-90-0), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: ethyl 3-oxo-3-phenylpropanimidate.
Chemical Property Profile of Ethyl 3-oxo-3-phenylpropanimidoate
Property Insights of Ethyl 3-oxo-3-phenylpropanimidoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-phenylpropanimidoate. With a topological polar surface area (TPSA) of 50.2 Ų, Ethyl 3-oxo-3-phenylpropanimidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-phenylpropanimidoate has 1 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 3-oxo-3-phenylpropanimidoate?
The CAS number of Ethyl 3-oxo-3-phenylpropanimidoate is 70582-90-0.
What is the molecular formula of Ethyl 3-oxo-3-phenylpropanimidoate?
The molecular formula of Ethyl 3-oxo-3-phenylpropanimidoate is C11H13NO2.
What is the molecular weight of Ethyl 3-oxo-3-phenylpropanimidoate?
The molecular weight of Ethyl 3-oxo-3-phenylpropanimidoate is 191.09 g/mol.
Where can I buy Ethyl 3-oxo-3-phenylpropanimidoate?
You can request a quote for Ethyl 3-oxo-3-phenylpropanimidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3-phenylpropanimidoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-phenylpropanimidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.