4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 478047-08-4) is a chemical compound with molecular formula C15H17F3N2O and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one, (E)-4-(4-benzylpiperazino)-1,1,1-trifluoro-3-buten-2-one, 4-(4-benzylpiperazin-1-yl)-1,1,1-trifluoro-but-3-en-2-one, (3E)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one, 4-(4-BENZYL-PIPERAZIN-1-YL)-1,1,1-TRIFLUORO-BUT-3-EN-2-ONE
| Molecular Formula | C15H17F3N2O |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.4493 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1293 |
| Heavy Atoms | 21 |
| Complexity | 491.39023 |
Chemical Identifiers
| CAS Number | 478047-08-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C=CC(=O)C(F)(F)F |
Product Overview
4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 478047-08-4), with molecular formula C15H17F3N2O and molecular weight 298.13 g/mol. IUPAC: 4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 2.4493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 23.55 Ų, 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one has 0 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-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one is 478047-08-4.
What is the molecular formula of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one is C15H17F3N2O.
What is the molecular weight of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one is 298.13 g/mol.
Where can I buy 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-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 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.