Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate
TL;DR: Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate (CAS 1006961-03-0) is a chemical compound with molecular formula C9H5F3NNaO2 and molecular weight 239.01701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 1,1,1-trifluoro-4-oxo-4-pyridin-3-ylbut-2-en-2-olate
Also Known As: sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate, sodium 1,1,1-trifluoro-4-oxo-4-pyridin-3-ylbut-2-en-2-olate, Sodium 1,1,1-trifluoro-4-oxo-4-pyridin-3-yl-but-2-en-2-olate, 844-091-2
Technical Specifications
| Molecular Formula | C9H5F3NNaO2 |
| Molecular Weight | 239.01701 g/mol |
| XLogP | -1.9252 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.01701 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | C1=CC(=CN=C1)C(=O)C=C(C(F)(F)F)[O-].[Na+] |
| InChIKey | PLBYWJVPXDVGQB-UHFFFAOYSA-M |
Chemical Property Profile of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate
Property Insights of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate
The XLogP value of -1.9252 indicates that Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.0 Ų, Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate?
The CAS number of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate is 1006961-03-0.
What is the molecular formula of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate?
The molecular formula of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate is C9H5F3NNaO2.
What is the molecular weight of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate?
The molecular weight of Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate is 239.01701 g/mol.
Where can I buy Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate?
You can request a quote for Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate?
Yes, CoreyChem provides custom synthesis services for Sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)but-2-en-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.