![Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate structure](/static/products/841/841208-40-0.png)
Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
TL;DR: Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate (CAS 841208-40-0) is a chemical compound with molecular formula C29H32F3N5O2 and molecular weight 539.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
Also Known As: Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate, heptyl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate, heptyl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
| Molecular Formula | C29H32F3N5O2 |
|---|---|
| Molecular Weight | 539.25 g/mol |
| LogP | 6.09598 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 539.2508 |
| Heavy Atoms | 39 |
| Complexity | 1316.2562 |
Chemical Identifiers
| CAS Number | 841208-40-0 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate (CAS 841208-40-0), with molecular formula C29H32F3N5O2 and molecular weight 539.25 g/mol. IUPAC: heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate.
Chemical Property Profile of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
Property Insights of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
The XLogP value of 6.09598 indicates that Heptyl 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 Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Heptyl 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 Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The CAS number of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is 841208-40-0.
What is the molecular formula of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The molecular formula of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is C29H32F3N5O2.
What is the molecular weight of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
The molecular weight of Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate is 539.25 g/mol.
Where can I buy Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
You can request a quote for Heptyl 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 Heptyl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 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.