TL;DR: ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate (CAS 128462-74-8) is a chemical compound with molecular formula C11H11BrN2O3 and molecular weight 297.9953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate
Also Known As: ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate, (E)-ethyl 2-(2-(4-bromobenzylidene)hydrazinyl)-2-oxoacetate, ethyl 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate
| Molecular Formula | C11H11BrN2O3 |
| Molecular Weight | 297.9953 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.9953 Da |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| SMILES | CCOC(=O)C(=O)N/N=C/C1=CC=C(C=C1)Br |
| InChIKey | YBBOOHSLSNVAHM-NTUHNPAUSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate. Following Lipinski's Rule of Five, ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate is 128462-74-8.
The molecular formula of ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate is C11H11BrN2O3.
The molecular weight of ethyl [(2E)-2-(4-bromobenzylidene)hydrazinyl](oxo)acetate is 297.9953 g/mol.
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