![Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate structure](/static/products/3308/330865-64-0.webp)
Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
TL;DR: Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 330865-64-0) is a chemical compound with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 00867040, AB00096120-01, methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate, methyl 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate, methyl 4-{3-[4-(4-nitrophenyl)piperazinyl]-2,5-dioxoazolidinyl}benzoate
| Molecular Formula | C22H22N4O6 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 1.8355 |
| Topological Polar Surface Area | 113.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.15393 |
| Heavy Atoms | 32 |
| Complexity | 1045.0957 |
Chemical Identifiers
| CAS Number | 330865-64-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 330865-64-0), with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol. IUPAC: methyl 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Property Insights of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
The XLogP value of 1.8355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate. The TPSA of 113.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate 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 Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The CAS number of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate is 330865-64-0.
What is the molecular formula of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular formula of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate is C22H22N4O6.
What is the molecular weight of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular weight of Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate is 438.15 g/mol.
Where can I buy Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate?
You can request a quote for Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{3-[4-(4-nitrophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.