(E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate
TL;DR: (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate (CAS 331971-17-6) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxobutanoate
Also Known As: (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate, F1542-0063, ethyl (2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate, ethyl (2E)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxobutanoate, ethyl (E)-2-acetyl-3-[5-(p-nitrophenyl)-2-furyl]acrylate
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.3903 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 800.74316 |
Chemical Identifiers
| CAS Number | 331971-17-6 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C |
Product Overview
(E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate (CAS 331971-17-6), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: ethyl (2E)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxobutanoate.
Chemical Property Profile of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate
Property Insights of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate
The XLogP value of 3.3903 indicates that (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate. Following Lipinski's Rule of Five, (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-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 (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate?
The CAS number of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate is 331971-17-6.
What is the molecular formula of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate?
The molecular formula of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate is C17H15NO6.
What is the molecular weight of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate?
The molecular weight of (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate is 329.09 g/mol.
Where can I buy (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate?
You can request a quote for (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((5-(4-nitrophenyl)furan-2-yl)methylene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.