TL;DR: 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid (CAS 142223-40-3) is a chemical compound with molecular formula C23H31N3O3 and molecular weight 397.23654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid
Also Known As: Pentanoic acid,5-[[(E)-[1-cyclohexyl-2-(1H-imidazol-1-yl)-3-phenylpropylidene]amino]oxy]-, Pentanoic acid, 5-(((1-cyclohexyl-2-(1H-imidazol-1-yl)-3-phenylpropylidene)amino)oxy)-, (E)-(+-)-
| Molecular Formula | C23H31N3O3 |
| Molecular Weight | 397.23654 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.23654 Da |
| Heavy Atoms | 29 |
| Complexity | 513.0 |
| SMILES | C1CCC(CC1)C(=NOCCCCC(=O)O)C(CC2=CC=CC=C2)N3C=CN=C3 |
| InChIKey | LBMBJNYANOLTNM-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid. Following Lipinski's Rule of Five, 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid is 142223-40-3.
The molecular formula of 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid is C23H31N3O3.
The molecular weight of 5-[(1-Cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid is 397.23654 g/mol.
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