![Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate structure](/static/products/4188/418805-02-4.webp)
Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
TL;DR: Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate (CAS 418805-02-4) is a chemical compound with molecular formula C17H13N3O7 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Also Known As: PYR 41, PYR41, ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate, 4-[4-[(5-Nitro-2-furanyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester, ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl)benzoate
| Molecular Formula | C17H13N3O7 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 1.8259 |
| Topological Polar Surface Area | 131.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.07535 |
| Heavy Atoms | 27 |
| Complexity | 959.16156 |
Chemical Identifiers
| CAS Number | 418805-02-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2 |
Product Overview
Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate (CAS 418805-02-4), with molecular formula C17H13N3O7 and molecular weight 371.08 g/mol. IUPAC: ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Property Insights of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
The XLogP value of 1.8259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate. The TPSA of 131.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate has 1 hydrogen bond donor(s) and 7 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 Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The CAS number of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is 418805-02-4.
What is the molecular formula of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The molecular formula of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is C17H13N3O7.
What is the molecular weight of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The molecular weight of Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is 371.08 g/mol.
Where can I buy Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
You can request a quote for Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-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 Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.