![methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate structure](/static/products/5002/500267-49-2.webp)
methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate
TL;DR: methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate (CAS 500267-49-2) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate
Also Known As: methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate, methyl {4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}(oxo)acetate, methyl 2-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)-2-oxoacetate
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 0.753 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 959.7937 |
Chemical Identifiers
| CAS Number | 500267-49-2 |
|---|---|
| SMILES | COC(=O)C(=O)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate (CAS 500267-49-2), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate.
Chemical Property Profile of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate
Property Insights of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate
The XLogP value of 0.753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate. Following Lipinski's Rule of Five, methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate has 0 hydrogen bond donor(s) and 6 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 methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate?
The CAS number of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate is 500267-49-2.
What is the molecular formula of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate?
The molecular formula of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate is C21H21N3O5.
What is the molecular weight of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate?
The molecular weight of methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate is 395.15 g/mol.
Where can I buy methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate?
You can request a quote for methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.