TL;DR: 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- (CAS 138206-84-5) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.1453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(Z)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
Also Known As: Neticonazole, Z-Neticonazole, Neticonazole Impurity 2, 1-[(Z)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole, 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
| Molecular Formula | C17H22N2OS |
| Molecular Weight | 302.1453 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1453 Da |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
| SMILES | CCCCCOC1=CC=CC=C1/C(=C/SC)/N2C=CN=C2 |
| InChIKey | VWOIKFDZQQLJBJ-SSZFMOIBSA-N |
The XLogP value of 4.1 indicates that 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- has 0 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 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- is 138206-84-5.
The molecular formula of 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- is C17H22N2OS.
The molecular weight of 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]- is 302.1453 g/mol.
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