TL;DR: Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate (CAS 61032-13-1) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.06987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetate
Also Known As: 1-ethoxalyl-2-(p-nitrophenyl)hydrazine, Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate, ethyl 2-(2-(4-nitrophenyl)hydrazinyl)-2-oxoacetate, ethyl [2-(4-nitrophenyl)hydrazinyl](oxo)acetate, ethyl 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetate
| Molecular Formula | C10H11N3O5 |
| Molecular Weight | 253.06987 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.06987 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | CCOC(=O)C(=O)NNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | HUTRCHJJQRMLAZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate. Following Lipinski's Rule of Five, Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate is 61032-13-1.
The molecular formula of Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate is C10H11N3O5.
The molecular weight of Ethyl {N-[(4-nitrophenyl)amino]carbamoyl}formate is 253.06987 g/mol.
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