![4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one structure](/static/products/1453/14532-33-3.webp)
4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one
TL;DR: 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one (CAS 14532-33-3) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one
Also Known As: 3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one, 4-[3-(5-HYDROXY-3-METHYLISOXAZOL-4-YL)ALLYLIDENE]-3-METHYL-(4H)ISOXAZOL-5-ONE, 4-(3-(5-Hydroxy-3-methylisoxazol-4-yl)allylidene)-3-methyl-(4H)isoxazol-5-one, 5(4H)-Isoxazolone,4-[3-(5-hydroxy-3-methyl-4-isoxazolyl)-2-propen-1-ylidene]-3-methyl-, 3-methyl-4-[3-(3-methyl-5-oxo-1,2-oxazol-4(5h)-ylidene)prop-1-en-1-yl]-1,2-oxazol-5(2h)-one
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 14532-33-3 |
|---|---|
| SMILES | CC1=C(C(=O)ON1)C=CC=C2C(=NOC2=O)C |
| InChIKey | VZFSNNVUKMJFNK-UHFFFAOYSA-N |
Product Overview
4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one (CAS 14532-33-3), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one.
Chemical Property Profile of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one
Property Insights of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one. Following Lipinski's Rule of Five, 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one?
The CAS number of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one is 14532-33-3.
What is the molecular formula of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one?
The molecular formula of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one is C11H10N2O4.
What is the molecular weight of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one?
The molecular weight of 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one is 234.06 g/mol.
Where can I buy 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one?
You can request a quote for 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.