3-Ethoxy-3-oxo-2-phenylpropanoic acid
TL;DR: 3-Ethoxy-3-oxo-2-phenylpropanoic acid (CAS 17097-90-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-3-oxo-2-phenylpropanoic acid
Also Known As: 3-ethoxy-3-oxo-2-phenylpropanoic acid, 2-Phenyl-malonic acid monoethyl ester, Leucogen Impurity 7, Maybridge3_005541, ethyl hydrogen phenylmalonate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4179 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 344.86536 |
Chemical Identifiers
| CAS Number | 17097-90-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)O |
Product Overview
3-Ethoxy-3-oxo-2-phenylpropanoic acid (CAS 17097-90-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-ethoxy-3-oxo-2-phenylpropanoic acid.
Chemical Property Profile of 3-Ethoxy-3-oxo-2-phenylpropanoic acid
Property Insights of 3-Ethoxy-3-oxo-2-phenylpropanoic acid
The XLogP value of 1.4179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-3-oxo-2-phenylpropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-3-oxo-2-phenylpropanoic acid. Following Lipinski's Rule of Five, 3-Ethoxy-3-oxo-2-phenylpropanoic acid 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 3-Ethoxy-3-oxo-2-phenylpropanoic acid?
The CAS number of 3-Ethoxy-3-oxo-2-phenylpropanoic acid is 17097-90-4.
What is the molecular formula of 3-Ethoxy-3-oxo-2-phenylpropanoic acid?
The molecular formula of 3-Ethoxy-3-oxo-2-phenylpropanoic acid is C11H12O4.
What is the molecular weight of 3-Ethoxy-3-oxo-2-phenylpropanoic acid?
The molecular weight of 3-Ethoxy-3-oxo-2-phenylpropanoic acid is 208.07 g/mol.
Where can I buy 3-Ethoxy-3-oxo-2-phenylpropanoic acid?
You can request a quote for 3-Ethoxy-3-oxo-2-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-3-oxo-2-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-3-oxo-2-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.