![methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate structure](/static/products/517/517890-07-2.png)
methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
TL;DR: methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 517890-07-2) is a chemical compound with molecular formula C23H22N2O9 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C23H22N2O9 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 1.812 |
| Topological Polar Surface Area | 156.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.13254 |
| Heavy Atoms | 34 |
| Complexity | 1124.1348 |
Chemical Identifiers
| CAS Number | 517890-07-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CCOCCO |
Product Overview
methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 517890-07-2), with molecular formula C23H22N2O9 and molecular weight 470.13 g/mol. IUPAC: methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Property Insights of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
The XLogP value of 1.812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate. The TPSA of 156.51 Ų indicates high polarity, suggesting methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate has 2 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 methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The CAS number of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is 517890-07-2.
What is the molecular formula of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular formula of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is C23H22N2O9.
What is the molecular weight of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular weight of methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is 470.13 g/mol.
Where can I buy methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
You can request a quote for methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-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-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.