![Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate structure](/static/products/1053/10537-84-5.webp)
Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
TL;DR: Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate (CAS 10537-84-5) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
Also Known As: beta-Ethoxycarbonyl-beta-acetyl-3,5-di-tert-butyl-4-hydroxystyrene, Ethyl 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxobutanoate, ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate, Butanoic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxo-, ethyl ester, Butanoic acid,2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-oxo-, ethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.21442 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.21442 Da |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
| SMILES | CCOC(=O)C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)C |
| InChIKey | OJZBBHWBJOSQFI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
Property Insights of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
The XLogP value of 5.4 indicates that Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate?
The CAS number of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate is 10537-84-5.
What is the molecular formula of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate?
The molecular formula of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate is C21H30O4.
What is the molecular weight of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate?
The molecular weight of Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate is 346.21442 g/mol.
Where can I buy Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate?
You can request a quote for Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.