1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one (CAS 691858-24-9) is a chemical compound with molecular formula C12H13F3N4O and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one, (E)-1,1,1-trifluoro-4-[4-(2-pyrimidinyl)piperazino]-3-buten-2-one
| Molecular Formula | C12H13F3N4O |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 1.2437 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.10416 |
| Heavy Atoms | 20 |
| Complexity | 481.22583 |
Chemical Identifiers
| CAS Number | 691858-24-9 |
|---|---|
| SMILES | C1CN(CCN1C=CC(=O)C(F)(F)F)C2=NC=CC=N2 |
Product Overview
1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one (CAS 691858-24-9), with molecular formula C12H13F3N4O and molecular weight 286.10 g/mol. IUPAC: 1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one
The XLogP value of 1.2437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 49.33 Ų, 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-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-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one has 0 hydrogen bond donor(s) and 5 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 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one is 691858-24-9.
What is the molecular formula of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one is C12H13F3N4O.
What is the molecular weight of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one is 286.10 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.