allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
TL;DR: allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate (CAS 489404-53-7) is a chemical compound with molecular formula C25H25N5O3 and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
Also Known As: allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate, prop-2-en-1-yl cyano{3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}acetate, prop-2-enyl 2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
| Molecular Formula | C25H25N5O3 |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.19574 |
| Heavy Atoms | 33 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 489404-53-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC=C |
| InChIKey | RYOZWLXSSKAVIJ-UHFFFAOYSA-N |
Product Overview
allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate (CAS 489404-53-7), with molecular formula C25H25N5O3 and molecular weight 443.20 g/mol. IUPAC: prop-2-enyl 2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate.
Chemical Property Profile of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
Property Insights of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate
The XLogP value of 3.7 indicates that allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate has 0 hydrogen bond donor(s) and 8 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 allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The CAS number of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is 489404-53-7.
What is the molecular formula of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular formula of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is C25H25N5O3.
What is the molecular weight of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular weight of allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate is 443.20 g/mol.
Where can I buy allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
You can request a quote for allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)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 allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-cyano-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)quinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.