(4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one
TL;DR: (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one (CAS 136320-20-2) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
Also Known As: BIM-0020280.P001, J2.478.372C, AB00084290-01, 3-Methyl-4-(4-methyl-benzylidene)-4H-isoxazol-5-one, 3-methyl-4-(4-methylbenzylidene)-5(4H)-isoxazolone
Technical Specifications
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/2\C(=NOC2=O)C |
| InChIKey | YXVQOTXQCWJCNJ-YRNVUSSQSA-N |
Chemical Property Profile of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one
Property Insights of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 38.7 Ų, (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one 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 (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one?
The CAS number of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one is 136320-20-2.
What is the molecular formula of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one?
The molecular formula of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one is C12H11NO2.
What is the molecular weight of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one?
The molecular weight of (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one is 201.07898 g/mol.
Where can I buy (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one?
You can request a quote for (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one?
Yes, CoreyChem provides custom synthesis services for (4E)-3-methyl-4-(4-methylbenzylidene)-1,2-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.