![[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone structure](/static/products/4384/438479-04-0.webp)
[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
TL;DR: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CAS 438479-04-0) is a chemical compound with molecular formula C26H27F3N2O2 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, {4-[(1-hydroxycyclohexyl)ethynyl]phenyl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
| Molecular Formula | C26H27F3N2O2 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 4.7145 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.20245 |
| Heavy Atoms | 33 |
| Complexity | 1039.6871 |
Chemical Identifiers
| CAS Number | 438479-04-0 |
|---|---|
| SMILES | C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O |
Product Overview
[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CAS 438479-04-0), with molecular formula C26H27F3N2O2 and molecular weight 456.20 g/mol. IUPAC: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Property Insights of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
The XLogP value of 4.7145 indicates that [4-[2-(1-hydroxycyclohexyl)ethynyl]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 43.78 Ų, [4-[2-(1-hydroxycyclohexyl)ethynyl]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-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has 1 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-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The CAS number of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is 438479-04-0.
What is the molecular formula of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The molecular formula of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is C26H27F3N2O2.
What is the molecular weight of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The molecular weight of [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is 456.20 g/mol.
Where can I buy [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
You can request a quote for [4-[2-(1-hydroxycyclohexyl)ethynyl]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-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.