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Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
TL;DR: Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate (CAS 20207-84-5) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
Also Known As: ethyl 2-(5-nitro-2-furylmethylidene)-3-oxobutanoate, ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 20207-84-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(O1)[N+](=O)[O-])C(=O)C |
| InChIKey | QTLBKSGZCHZBHO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate (CAS 20207-84-5), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
Property Insights of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate 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 Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate?
The CAS number of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate is 20207-84-5.
What is the molecular formula of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate?
The molecular formula of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate is C11H11NO6.
What is the molecular weight of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate?
The molecular weight of Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate is 253.06 g/mol.
Where can I buy Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate?
You can request a quote for Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.