TL;DR: Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- (CAS 133661-83-3) is a chemical compound with molecular formula C12H15ClN2O and molecular weight 238.0873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(2-chlorophenyl)methylideneamino]-2,2-dimethylpropanamide
Also Known As: (E)-2,2-Dimethylpropanoic acid ((2-chlorophenyl)methylene)hydrazide, Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)-, N'-[(2-chlorophenyl)methylidene]-2,2-dimethylpropanehydrazide, N -(2-Chlorobenzylidene)-2,2-dimethylpropanoic acid hydrazide, BRN 4250323
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.0873 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0873 Da |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
| SMILES | CC(C)(C)C(=O)N/N=C/C1=CC=CC=C1Cl |
| InChIKey | QAMPDZDJTCMJKM-RIYZIHGNSA-N |
The XLogP value of 3.2 indicates that Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- is 133661-83-3.
The molecular formula of Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- is C12H15ClN2O.
The molecular weight of Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)- is 238.0873 g/mol.
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