4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone
TL;DR: 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone (CAS 127245-21-0) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyl-1,2-oxazolidin-3-one
Also Known As: (E)-4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone, (Z)-4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone, 3-Isoxazolidinone,4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-methyl-, (E)- (9CI), 3-Isoxazolidinone,4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-methyl-, (Z)- (9CI), 4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone
Technical Specifications
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.1991 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1991 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2CON(C2=O)C |
| InChIKey | OTOTVZIIINPDEE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone
Property Insights of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone
The XLogP value of 4.4 indicates that 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone has 1 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 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone?
The CAS number of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone is 127245-21-0.
What is the molecular formula of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone?
The molecular formula of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone is C19H27NO3.
What is the molecular weight of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone?
The molecular weight of 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone is 317.1991 g/mol.
Where can I buy 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone?
You can request a quote for 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone?
Yes, CoreyChem provides custom synthesis services for 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-3-isoxazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.