Ethyl 3-nitro-beta-oxobenzenepropanoate
TL;DR: Ethyl 3-nitro-beta-oxobenzenepropanoate (CAS 52119-38-7) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(3-nitrophenyl)-3-oxopropanoate
Also Known As: ethyl 3-(3-nitrophenyl)-3-oxopropanoate, Ethyl 3-nitrobenzoylacetate, Maybridge1_001967, Ethyl 3-(m-nitrophenyl)-3-oxopropionate, Ethyl (3-Nitrobenzoyl)acetate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.06372 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06372 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | DSOJMGUVLXTQSE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-nitro-beta-oxobenzenepropanoate
Property Insights of Ethyl 3-nitro-beta-oxobenzenepropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-nitro-beta-oxobenzenepropanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-nitro-beta-oxobenzenepropanoate. Following Lipinski's Rule of Five, Ethyl 3-nitro-beta-oxobenzenepropanoate 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 3-nitro-beta-oxobenzenepropanoate?
The CAS number of Ethyl 3-nitro-beta-oxobenzenepropanoate is 52119-38-7.
What is the molecular formula of Ethyl 3-nitro-beta-oxobenzenepropanoate?
The molecular formula of Ethyl 3-nitro-beta-oxobenzenepropanoate is C11H11NO5.
What is the molecular weight of Ethyl 3-nitro-beta-oxobenzenepropanoate?
The molecular weight of Ethyl 3-nitro-beta-oxobenzenepropanoate is 237.06372 g/mol.
Where can I buy Ethyl 3-nitro-beta-oxobenzenepropanoate?
You can request a quote for Ethyl 3-nitro-beta-oxobenzenepropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-nitro-beta-oxobenzenepropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-nitro-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.