Ethyl (4-nitroanilino)(oxo)acetate
TL;DR: Ethyl (4-nitroanilino)(oxo)acetate (CAS 101452-99-7) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-nitroanilino)-2-oxoacetate
Also Known As: Ethyl (4-Nitrophenylamino) Oxoacetate, ethyl [(4-nitrophenyl)carbamoyl]formate, ethyl 2-(4-nitroanilino)-2-oxoacetate, Acetic acid, ethyl ester, Ethyl 4 -nitrooxanilate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.05898 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05898 Da |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
| SMILES | CCOC(=O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | LZAMLGBMDVNTOX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (4-nitroanilino)(oxo)acetate
Property Insights of Ethyl (4-nitroanilino)(oxo)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-nitroanilino)(oxo)acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-nitroanilino)(oxo)acetate. Following Lipinski's Rule of Five, Ethyl (4-nitroanilino)(oxo)acetate has 1 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 (4-nitroanilino)(oxo)acetate?
The CAS number of Ethyl (4-nitroanilino)(oxo)acetate is 101452-99-7.
What is the molecular formula of Ethyl (4-nitroanilino)(oxo)acetate?
The molecular formula of Ethyl (4-nitroanilino)(oxo)acetate is C10H10N2O5.
What is the molecular weight of Ethyl (4-nitroanilino)(oxo)acetate?
The molecular weight of Ethyl (4-nitroanilino)(oxo)acetate is 238.05898 g/mol.
Where can I buy Ethyl (4-nitroanilino)(oxo)acetate?
You can request a quote for Ethyl (4-nitroanilino)(oxo)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (4-nitroanilino)(oxo)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl (4-nitroanilino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.