4-Ethoxy-4-oxo-3-phenylbutanoic acid
TL;DR: 4-Ethoxy-4-oxo-3-phenylbutanoic acid (CAS 32971-21-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-4-oxo-3-phenylbutanoic acid
Also Known As: 4-ethoxy-4-oxo-3-phenylbutanoic acid, phenyl-succinic acid-1-ethyl ester, 4-ethoxy-4-oxo-3-phenyl-butanoic Acid, 4-ethoxy-4-oxo-3-phenylbutanoicacid, 3-ethoxycarbonyl-3-phenylpropionic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.808 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 358.54132 |
Chemical Identifiers
| CAS Number | 32971-21-4 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)O)C1=CC=CC=C1 |
Product Overview
4-Ethoxy-4-oxo-3-phenylbutanoic acid (CAS 32971-21-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-ethoxy-4-oxo-3-phenylbutanoic acid.
Chemical Property Profile of 4-Ethoxy-4-oxo-3-phenylbutanoic acid
Property Insights of 4-Ethoxy-4-oxo-3-phenylbutanoic acid
The XLogP value of 1.808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-4-oxo-3-phenylbutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-4-oxo-3-phenylbutanoic acid. Following Lipinski's Rule of Five, 4-Ethoxy-4-oxo-3-phenylbutanoic 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 4-Ethoxy-4-oxo-3-phenylbutanoic acid?
The CAS number of 4-Ethoxy-4-oxo-3-phenylbutanoic acid is 32971-21-4.
What is the molecular formula of 4-Ethoxy-4-oxo-3-phenylbutanoic acid?
The molecular formula of 4-Ethoxy-4-oxo-3-phenylbutanoic acid is C12H14O4.
What is the molecular weight of 4-Ethoxy-4-oxo-3-phenylbutanoic acid?
The molecular weight of 4-Ethoxy-4-oxo-3-phenylbutanoic acid is 222.09 g/mol.
Where can I buy 4-Ethoxy-4-oxo-3-phenylbutanoic acid?
You can request a quote for 4-Ethoxy-4-oxo-3-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-4-oxo-3-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-4-oxo-3-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.