![Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester structure](/static/products/1580/15802-69-4.webp)
Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester
TL;DR: Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester (CAS 15802-69-4) 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-[(4-nitrophenyl)methylidene]-3-oxobutanoate
Also Known As: ethyl 2-[(4-nitrophenyl)methylidene]-3-oxobutanoate, 2-(4-nitrobenzylidene)acetoacetic acid ethyl ester, Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester, 2-(4-nitrophenylmethylene)acetoacetic acid ethyl ester
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 15802-69-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C |
| InChIKey | CHERQVMXMRXBFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester (CAS 15802-69-4), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: ethyl 2-[(4-nitrophenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester
Property Insights of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester 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 Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester?
The CAS number of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester is 15802-69-4.
What is the molecular formula of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester?
The molecular formula of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester is C13H13NO5.
What is the molecular weight of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester?
The molecular weight of Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester is 263.08 g/mol.
Where can I buy Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester?
You can request a quote for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-[(4-nitrophenyl)methylene]-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.