TL;DR: RefChem:1096867 (CAS 133661-96-8) is a chemical compound with molecular formula C13H17ClN2O2 and molecular weight 268.09787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(2-chlorophenyl)propylideneamino]-2-hydroxy-2-methylpropanamide
Also Known As: Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)propylidene)hydrazide, (E)-, (E)-2-Hydroxy-2-methylpropanoic acid (1-(2-chlorophenyl)propylidene)hydrazide, N'-[1-(2-chlorophenyl)propylidene]-2-hydroxy-2-methylpropanehydrazide, N -(2-Chloro-alpha-ethylbenzylidene)2-hydroxy-2-methylpropanoic acid hydrazide, BRN 4257171
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.09787 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.09787 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | CC/C(=N\NC(=O)C(C)(C)O)/C1=CC=CC=C1Cl |
| InChIKey | LXAVQERBEIOKKI-RVDMUPIBSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096867. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096867. Following Lipinski's Rule of Five, RefChem:1096867 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1096867 is 133661-96-8.
The molecular formula of RefChem:1096867 is C13H17ClN2O2.
The molecular weight of RefChem:1096867 is 268.09787 g/mol.
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