Ethyl 2-amino-3-oxo-3-phenylpropanoate
TL;DR: Ethyl 2-amino-3-oxo-3-phenylpropanoate (CAS 95271-93-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-oxo-3-phenylpropanoate
Also Known As: H-beta-oxo-DL-Phe-OEt, Ethyl benzoylglycinate, H-, A-oxo-DL-Phe-OEt, ethyl 2-amino-3-oxo-3-phenylpropanoate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 95271-93-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)N |
| InChIKey | CHWTZIZZJYGBFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-3-oxo-3-phenylpropanoate (CAS 95271-93-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 2-amino-3-oxo-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-amino-3-oxo-3-phenylpropanoate
Property Insights of Ethyl 2-amino-3-oxo-3-phenylpropanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-oxo-3-phenylpropanoate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-oxo-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-oxo-3-phenylpropanoate has 1 hydrogen bond donor(s) and 4 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-amino-3-oxo-3-phenylpropanoate?
The CAS number of Ethyl 2-amino-3-oxo-3-phenylpropanoate is 95271-93-5.
What is the molecular formula of Ethyl 2-amino-3-oxo-3-phenylpropanoate?
The molecular formula of Ethyl 2-amino-3-oxo-3-phenylpropanoate is C11H13NO3.
What is the molecular weight of Ethyl 2-amino-3-oxo-3-phenylpropanoate?
The molecular weight of Ethyl 2-amino-3-oxo-3-phenylpropanoate is 207.09 g/mol.
Where can I buy Ethyl 2-amino-3-oxo-3-phenylpropanoate?
You can request a quote for Ethyl 2-amino-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-amino-3-oxo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-oxo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.