2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
TL;DR: 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester (CAS 15121-89-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxo-4-phenylbut-2-enoate
Also Known As: Ethyl 3-benzoylacrylate, ethyl 4-oxo-4-phenylbut-2-enoate, Ethyl trans-3-Benzoylacrylate, Ethyl3-benzoylacrylate, Ethyltrans-3-Benzoylacrylate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | CCOC(=O)C=CC(=O)C1=CC=CC=C1 |
| InChIKey | ACXLBHHUHSJENU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
Property Insights of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester 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
What is the CAS number of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester?
The CAS number of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester is 15121-89-8.
What is the molecular formula of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester?
The molecular formula of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester is C12H12O3.
What is the molecular weight of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester?
The molecular weight of 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester is 204.07864 g/mol.
Where can I buy 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester?
You can request a quote for 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.