Ethyl 2-(2-nitrophenyl)-3-oxobutanoate
TL;DR: Ethyl 2-(2-nitrophenyl)-3-oxobutanoate (CAS 10565-19-2) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-nitrophenyl)-3-oxobutanoate
Also Known As: Ethyl 2-(2-Nitrophenyl)-3-oxobutyrate, ethyl 2-(2-nitrophenyl)-3-oxobutanoate, Benzeneacetic acid, .alpha.-acetyl-2-nitro-, ethyl ester (en)
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1[N+](=O)[O-])C(=O)C |
| InChIKey | CDDYWSOHXZFSKT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate
Property Insights of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-nitrophenyl)-3-oxobutanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-nitrophenyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-nitrophenyl)-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 2-(2-nitrophenyl)-3-oxobutanoate?
The CAS number of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate is 10565-19-2.
What is the molecular formula of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate?
The molecular formula of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate is C12H13NO5.
What is the molecular weight of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate?
The molecular weight of Ethyl 2-(2-nitrophenyl)-3-oxobutanoate is 251.07938 g/mol.
Where can I buy Ethyl 2-(2-nitrophenyl)-3-oxobutanoate?
You can request a quote for Ethyl 2-(2-nitrophenyl)-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(2-nitrophenyl)-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(2-nitrophenyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.