2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester
TL;DR: 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester (CAS 113450-87-6) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)but-2-enoate
Also Known As: 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester, ethyl 4-oxo-4-(pentamethylphenyl)but-2-enoate, ethyl 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)but-2-enoate, 2-Butenoic acid,4-oxo-4-(pentamethylphenyl)-,ethyl ester, 2-Butenoic acid, 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C17H22O3 |
| Molecular Weight | 274.1569 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.1569 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | CCOC(=O)C=CC(=O)C1=C(C(=C(C(=C1C)C)C)C)C |
| InChIKey | HAJUURKPOBXIJT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester
Property Insights of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester
The XLogP value of 3.9 indicates that 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, 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-(pentamethylphenyl)-, ethyl ester?
The CAS number of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester is 113450-87-6.
What is the molecular formula of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester?
The molecular formula of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester is C17H22O3.
What is the molecular weight of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester?
The molecular weight of 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester is 274.1569 g/mol.
Where can I buy 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester?
You can request a quote for 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, 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-(pentamethylphenyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 4-oxo-4-(pentamethylphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.