Ethyl (2E)-4-oxo-4-phenyl-2-butenoate
TL;DR: Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS 175669-17-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-oxo-4-phenylbut-2-enoate
Also Known As: Ethyl 3-benzoylacrylate, ethyl 4-oxo-4-phenylbut-2-enoate, Hexanophenone, Enalapril Impurity 19, Ethyl trans-3-Benzoylacrylate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.9886 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 365.71344 |
Chemical Identifiers
| CAS Number | 175669-17-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)C1=CC=CC=C1 |
Product Overview
Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS 175669-17-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: ethyl (E)-4-oxo-4-phenylbut-2-enoate.
Chemical Property Profile of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate
Property Insights of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate
The XLogP value of 1.9886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-4-oxo-4-phenyl-2-butenoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (2E)-4-oxo-4-phenyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E)-4-oxo-4-phenyl-2-butenoate has 0 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 (2E)-4-oxo-4-phenyl-2-butenoate?
The CAS number of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate is 175669-17-7.
What is the molecular formula of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate?
The molecular formula of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate is C12H12O3.
What is the molecular weight of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate?
The molecular weight of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate is 204.08 g/mol.
Where can I buy Ethyl (2E)-4-oxo-4-phenyl-2-butenoate?
You can request a quote for Ethyl (2E)-4-oxo-4-phenyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-4-oxo-4-phenyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-4-oxo-4-phenyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.