![[4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone structure](/static/products/4384/438477-87-3.webp)
[4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
TL;DR: [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CAS 438477-87-3) is a chemical compound with molecular formula C26H21F3N2O and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone|[4-(phenylethynyl)phenyl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
| Molecular Formula | C26H21F3N2O |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 5.0676 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 434.16058 |
| Heavy Atoms | 32 |
| Complexity | 1137.4298 |
Chemical Identifiers
| CAS Number | 438477-87-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4 |
Product Overview
[4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CAS 438477-87-3), with molecular formula C26H21F3N2O and molecular weight 434.16 g/mol. IUPAC: [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Property Insights of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
The XLogP value of 5.0676 indicates that [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The CAS number of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is 438477-87-3.
What is the molecular formula of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The molecular formula of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is C26H21F3N2O.
What is the molecular weight of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The molecular weight of [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is 434.16 g/mol.
Where can I buy [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
You can request a quote for [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-phenylethynyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.