1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one (CAS 716363-06-3) is a chemical compound with molecular formula C9H13F3N2O and molecular weight 222.09799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1,1,1-trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one, (E)-1,1,1-trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one, AB01328976-02, (3E)-1,1,1-Trifluoro-4-(4-methyl-1-piperazinyl)-3-buten-2-one, (3E)-1,1,1-trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one
Technical Specifications
| Molecular Formula | C9H13F3N2O |
| Molecular Weight | 222.09799 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09799 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | CN1CCN(CC1)/C=C/C(=O)C(F)(F)F |
| InChIKey | HFVPPIFYFLQVQL-NSCUHMNNSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 23.6 Ų, 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one 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 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one is 716363-06-3.
What is the molecular formula of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one is C9H13F3N2O.
What is the molecular weight of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one is 222.09799 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-4-(4-methylpiperazin-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.