Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate
TL;DR: Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate (CAS 154874-94-9) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Also Known As: Lercanidipine Impurity 62, Ethyl 3- nitrobenzylidenacetoacetate, methyl 2-nitrobenzylideneacetoacetate, ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate, Ethyl 2-(3-nitrobenzylidene)acetoacetate
Technical Specifications
| Molecular Formula | C13H13NO5 |
| Molecular Weight | 263.07938 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CCOC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)C |
| InChIKey | YOPMSDPIOQUWFE-WQLSENKSSA-N |
Chemical Property Profile of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate
Property Insights of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate?
The CAS number of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate is 154874-94-9.
What is the molecular formula of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate?
The molecular formula of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate is C13H13NO5.
What is the molecular weight of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate?
The molecular weight of Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate is 263.07938 g/mol.
Where can I buy Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate?
You can request a quote for Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl (2Z)-2-((3-nitrophenyl)methylene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.