![Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate structure](/static/products/587/587005-79-6.png)
Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
TL;DR: Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate (CAS 587005-79-6) is a chemical compound with molecular formula C29H24F3N5O2 and molecular weight 531.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
Also Known As: Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate, benzyl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate, benzyl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
| Molecular Formula | C29H24F3N5O2 |
|---|---|
| Molecular Weight | 531.19 g/mol |
| LogP | 5.32578 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.18823 |
| Heavy Atoms | 39 |
| Complexity | 1513.1398 |
Chemical Identifiers
| CAS Number | 587005-79-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5 |
Product Overview
Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate (CAS 587005-79-6), with molecular formula C29H24F3N5O2 and molecular weight 531.19 g/mol. IUPAC: benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate.
Chemical Property Profile of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
Property Insights of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
The XLogP value of 5.32578 indicates that Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The CAS number of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is 587005-79-6.
What is the molecular formula of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The molecular formula of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is C29H24F3N5O2.
What is the molecular weight of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The molecular weight of Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is 531.19 g/mol.
Where can I buy Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
You can request a quote for Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.