(E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
TL;DR: (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 956949-45-4) is a chemical compound with molecular formula C26H27FN4O2 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-en-1-one
Also Known As: (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-en-1-one, 2-Propen-1-one, 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-, (2E)-
| Molecular Formula | C26H27FN4O2 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | 4.19284 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.2118 |
| Heavy Atoms | 33 |
| Complexity | 1188.2799 |
Chemical Identifiers
| CAS Number | 956949-45-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C |
Product Overview
(E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 956949-45-4), with molecular formula C26H27FN4O2 and molecular weight 446.21 g/mol. IUPAC: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-en-1-one.
Chemical Property Profile of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Property Insights of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
The XLogP value of 4.19284 indicates that (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 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 (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The CAS number of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 956949-45-4.
What is the molecular formula of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The molecular formula of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is C26H27FN4O2.
What is the molecular weight of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The molecular weight of (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 446.21 g/mol.
Where can I buy (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one?
You can request a quote for (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-(4-Acetylphenyl)piperazin-1-yl)-3-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.