![isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate structure](/static/products/488/488794-38-3.png)
isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
TL;DR: isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate (CAS 488794-38-3) is a chemical compound with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
Also Known As: isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, propan-2-yl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate, propan-2-yl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C26H27N5O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2063 |
| Heavy Atoms | 35 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 488794-38-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | GNOZYRIMUCAWJO-UHFFFAOYSA-N |
Product Overview
isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate (CAS 488794-38-3), with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol. IUPAC: propan-2-yl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
Property Insights of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
The XLogP value of 3.4 indicates that isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate. Following Lipinski's Rule of Five, isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate has 0 hydrogen bond donor(s) and 9 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 isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The CAS number of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is 488794-38-3.
What is the molecular formula of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The molecular formula of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is C26H27N5O4.
What is the molecular weight of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The molecular weight of isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is 473.21 g/mol.
Where can I buy isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
You can request a quote for isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.