4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one
TL;DR: 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one (CAS 1086254-52-5) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
Also Known As: 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one, (e)-4-(4-methoxybenzylidene)-3-methylisoxazol-5(4h)-one, 2-Isoxazolin-5-one, 4-(p-methoxybenzylidene)-3-methyl-, 3-Methyl-4-(4-methoxybenzylidene)isoxazole-5(4H)-one, 4-[(4-methoxyphenyl)methylene]-3-methylisoxazol-5-one
Technical Specifications
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.0739 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 Da |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
| SMILES | CC\1=NOC(=O)/C1=C/C2=CC=C(C=C2)OC |
| InChIKey | BDRUBILCCDSZIW-YRNVUSSQSA-N |
Chemical Property Profile of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one
Property Insights of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one. With a topological polar surface area (TPSA) of 47.9 Ų, 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 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-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one?
The CAS number of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one is 1086254-52-5.
What is the molecular formula of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one?
The molecular formula of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one is C12H11NO3.
What is the molecular weight of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one?
The molecular weight of 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one is 217.0739 g/mol.
Where can I buy 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one?
You can request a quote for 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Methoxybenzylidene)-3-methylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.