2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile
TL;DR: 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile (CAS 1024775-33-4) is a chemical compound with molecular formula C21H18F3N3O and molecular weight 385.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile
Also Known As: (2E)-2-[(E)-benzoyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile, 2-benzoyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile, 2-(PHENYLCARBONYL)-3-(4-(3-(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)PROP-2-ENENITRILE, (E)-2-benzoyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile, C21H18F3N3O
| Molecular Formula | C21H18F3N3O |
|---|---|
| Molecular Weight | 385.14 g/mol |
| LogP | 4.11778 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.1402 |
| Heavy Atoms | 28 |
| Complexity | 908.48334 |
Chemical Identifiers
| CAS Number | 1024775-33-4 |
|---|---|
| SMILES | C1CN(CCN1C=C(C#N)C(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile (CAS 1024775-33-4), with molecular formula C21H18F3N3O and molecular weight 385.14 g/mol. IUPAC: 2-benzoyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile.
Chemical Property Profile of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile
Property Insights of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile
The XLogP value of 4.11778 indicates that 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile 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 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile?
The CAS number of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile is 1024775-33-4.
What is the molecular formula of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile?
The molecular formula of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile is C21H18F3N3O.
What is the molecular weight of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile?
The molecular weight of 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile is 385.14 g/mol.
Where can I buy 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile?
You can request a quote for 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylcarbonyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazinyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.