TL;DR: (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime (CAS 58609-72-6) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine
Also Known As: 1-Ethoxy-2-methoxybenzene, 2-(4-Isobutylphenyl)propionaldehyde oxime, (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime, N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine, Benzeneacetaldehyde, a-methyl-4-(2-methylpropyl)-,oxime
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.14667 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.14667 Da |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C=NO |
| InChIKey | TVVYFXMDNBMONX-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime 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 (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is 58609-72-6.
The molecular formula of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is C13H19NO.
The molecular weight of (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime is 205.14667 g/mol.
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