1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
TL;DR: 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate (CAS 498538-03-7) is a chemical compound with molecular formula C26H26F3N5O3 and molecular weight 513.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxypropan-2-yl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate
Also Known As: 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate, 1-methoxypropan-2-yl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate, 1-methoxypropan-2-yl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
| Molecular Formula | C26H26F3N5O3 |
|---|---|
| Molecular Weight | 513.20 g/mol |
| LogP | 4.16048 |
| Topological Polar Surface Area | 91.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.1988 |
| Heavy Atoms | 37 |
| Complexity | 1302.5923 |
Chemical Identifiers
| CAS Number | 498538-03-7 |
|---|---|
| SMILES | CC(COC)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate (CAS 498538-03-7), with molecular formula C26H26F3N5O3 and molecular weight 513.20 g/mol. IUPAC: 1-methoxypropan-2-yl 2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetate.
Chemical Property Profile of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
Property Insights of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
The XLogP value of 4.16048 indicates that 1-methoxypropan-2-yl 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 91.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The CAS number of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is 498538-03-7.
What is the molecular formula of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular formula of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is C26H26F3N5O3.
What is the molecular weight of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular weight of 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is 513.20 g/mol.
Where can I buy 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
You can request a quote for 1-methoxypropan-2-yl 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 1-methoxypropan-2-yl 2-cyano-2-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-methoxypropan-2-yl 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.