Ethyl 2-(o-nitrobenzylidene)acetoacetate
TL;DR: Ethyl 2-(o-nitrobenzylidene)acetoacetate (CAS 104765-28-8) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
Also Known As: ETHYL2-ACETYL-3- PROPENOATE, 2-Nitrobenzylidenacetessigsaeureethylester, ethyl 2-(o-nitrobenzylidene)acetoacetate, alpha-Acetyl-2-nitrocinnamic acid ethyl ester, Ethyl 2-[(2-nitrophenyl)methylidene]-3-oxo-butanoate
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 2.1303 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 547.7195 |
Chemical Identifiers
| CAS Number | 104765-28-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)C |
Product Overview
Ethyl 2-(o-nitrobenzylidene)acetoacetate (CAS 104765-28-8), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: ethyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(o-nitrobenzylidene)acetoacetate
Property Insights of Ethyl 2-(o-nitrobenzylidene)acetoacetate
The XLogP value of 2.1303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(o-nitrobenzylidene)acetoacetate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(o-nitrobenzylidene)acetoacetate. Following Lipinski's Rule of Five, Ethyl 2-(o-nitrobenzylidene)acetoacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(o-nitrobenzylidene)acetoacetate?
The CAS number of Ethyl 2-(o-nitrobenzylidene)acetoacetate is 104765-28-8.
What is the molecular formula of Ethyl 2-(o-nitrobenzylidene)acetoacetate?
The molecular formula of Ethyl 2-(o-nitrobenzylidene)acetoacetate is C13H13NO5.
What is the molecular weight of Ethyl 2-(o-nitrobenzylidene)acetoacetate?
The molecular weight of Ethyl 2-(o-nitrobenzylidene)acetoacetate is 263.08 g/mol.
Where can I buy Ethyl 2-(o-nitrobenzylidene)acetoacetate?
You can request a quote for Ethyl 2-(o-nitrobenzylidene)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(o-nitrobenzylidene)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(o-nitrobenzylidene)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.