![2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate structure](/static/products/840/840464-52-0.png)
2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
TL;DR: 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate (CAS 840464-52-0) is a chemical compound with molecular formula C25H26FN5O2 and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
Also Known As: VU0604839-1, F3225-4748, 2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate, 2-METHYLPROPYL 2-CYANO-2-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]QUINOXALIN-2-YL}ACETATE, 2-methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
| Molecular Formula | C25H26FN5O2 |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | 3.90188 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.20706 |
| Heavy Atoms | 33 |
| Complexity | 1167.626 |
Chemical Identifiers
| CAS Number | 840464-52-0 |
|---|---|
| SMILES | CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate (CAS 840464-52-0), with molecular formula C25H26FN5O2 and molecular weight 447.21 g/mol. IUPAC: 2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate.
Chemical Property Profile of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
Property Insights of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
The XLogP value of 3.90188 indicates that 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)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 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate. Following Lipinski's Rule of Five, 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate has 0 hydrogen bond donor(s) and 7 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-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate?
The CAS number of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate is 840464-52-0.
What is the molecular formula of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate?
The molecular formula of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate is C25H26FN5O2.
What is the molecular weight of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate?
The molecular weight of 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate is 447.21 g/mol.
Where can I buy 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate?
You can request a quote for 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)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 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl cyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.