TL;DR: 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride (CAS 130773-02-3) is a chemical compound with molecular formula C17H23ClN2OS and molecular weight 338.12195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride
Also Known As: neticonazole hydrochloride, Neticonazole HCl, Neticonazole hydrochloride [JAN], SS717, 1-[2-METHYLSULFANYL-1-(2-PENTOXYPHENYL)ETHENYL]IMIDAZOLE HYDROCHLORIDE
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H23ClN2OS |
| Molecular Weight | 338.12195 g/mol |
| XLogP | 5.0836 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.12195 Da |
| Heavy Atoms | 22 |
| Complexity | 322.0 |
| SMILES | CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2.Cl |
| InChIKey | HAHMABKERDVYCH-UHFFFAOYSA-N |
The XLogP value of 5.0836 indicates that 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride is 130773-02-3.
The molecular formula of 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride is C17H23ClN2OS.
The molecular weight of 1-[2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride is 338.12195 g/mol.
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