![4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone structure](/static/products/680/680594-80-3.png)
4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
TL;DR: 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone (CAS 680594-80-3) is a chemical compound with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
Also Known As: ChemDiv3_006715, SDCCGMLS-0064475.P001, IDI1_024625, BAS 12241724, 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
| Molecular Formula | C11H9F3N2O2 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.66554 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0616 |
| Heavy Atoms | 18 |
| Complexity | 640.4684 |
Chemical Identifiers
| CAS Number | 680594-80-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C2=CC(=NO2)C(F)(F)F)C |
Product Overview
4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone (CAS 680594-80-3), with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol. IUPAC: 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.
Chemical Property Profile of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
Property Insights of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
The XLogP value of 2.66554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone. With a topological polar surface area (TPSA) of 58.89 Ų, 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone 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
Frequently Asked Questions
What is the CAS number of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone?
The CAS number of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone is 680594-80-3.
What is the molecular formula of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone?
The molecular formula of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone is C11H9F3N2O2.
What is the molecular weight of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone?
The molecular weight of 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone is 258.06 g/mol.
Where can I buy 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone?
You can request a quote for 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.