TL;DR: ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate (CAS 1579955-59-1) is a chemical compound with molecular formula C10H10Cl2N2O2 and molecular weight 260.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2Z)-2-chloro-2-[(3-chlorophenyl)hydrazinylidene]acetate
Also Known As: Apixaban Impurity 257, ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate, J2.003.842J, ethyl (2Z)-2-chloro-2-[(3-chlorophenyl)hydrazinylidene]acetate, ethyl (Z)-2-chloro-2-(2-(3-chlorophenyl)hydrazineylidene)acetate
| Molecular Formula | C10H10Cl2N2O2 |
| Molecular Weight | 260.01193 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.01193 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CCOC(=O)/C(=N/NC1=CC(=CC=C1)Cl)/Cl |
| InChIKey | WVPOBGCCBQMLJN-ZROIWOOFSA-N |
The XLogP value of 4.8 indicates that ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]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)-chloro[(3-chlorophenyl)hydrazono]acetate is 1579955-59-1.
The molecular formula of ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate is C10H10Cl2N2O2.
The molecular weight of ethyl (2E)-chloro[(3-chlorophenyl)hydrazono]acetate is 260.01193 g/mol.
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