Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
TL;DR: Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate (CAS 41167-58-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
Also Known As: ethyl 2-hydroxy-4-oxo-4-phenylbut-2-enoate, ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate, (z)-ethyl 2-hydroxy-4-oxo-4-phenylbut-2-enoate, Ethyl 2-hydroxy-4-oxo-4-phenyl-2-butenoate, 2-Butenoic acid, 2-hydroxy-4-oxo-4-phenyl-, ethyl ester
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.7177 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 406.28674 |
Chemical Identifiers
| CAS Number | 41167-58-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)C=C(C1=CC=CC=C1)O |
Product Overview
Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate (CAS 41167-58-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate.
Chemical Property Profile of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
Property Insights of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
The XLogP value of 1.7177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate 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 4-hydroxy-2-oxo-4-phenylbut-3-enoate?
The CAS number of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate is 41167-58-2.
What is the molecular formula of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate?
The molecular formula of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate is C12H12O4.
What is the molecular weight of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate?
The molecular weight of Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate is 220.07 g/mol.
Where can I buy Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate?
You can request a quote for Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.