![butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate structure](/static/products/487/487023-31-4.png)
butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
TL;DR: butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 487023-31-4) is a chemical compound with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
Also Known As: butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate, butyl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate, butyl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
| Molecular Formula | C27H29N5O4 |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.22195 |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 487023-31-4 |
|---|---|
| SMILES | CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | XMFCLLLAVVNUDO-UHFFFAOYSA-N |
Product Overview
butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 487023-31-4), with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol. IUPAC: butyl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Property Insights of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
The XLogP value of 3.8 indicates that butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate 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 butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate. Following Lipinski's Rule of Five, butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate 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 butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The CAS number of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 487023-31-4.
What is the molecular formula of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular formula of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is C27H29N5O4.
What is the molecular weight of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular weight of butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 487.22 g/mol.
Where can I buy butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
You can request a quote for butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.