TL;DR: Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide (CAS 111355-09-0) is a chemical compound with molecular formula C20H25Cl2IN2 and molecular weight 490.04395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[bis(4-chlorophenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide
Also Known As: 4-(Bis(p-chlorophenyl)methyl)-1-ethyl-1-methylpiperazinium iodide, Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide, 4-[bis(4-chlorophenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide
| Molecular Formula | C20H25Cl2IN2 |
| Molecular Weight | 490.04395 g/mol |
| XLogP | 1.8689 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.04395 Da |
| Heavy Atoms | 25 |
| Complexity | 357.0 |
| SMILES | CC[N+]1(CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C.[I-] |
| InChIKey | LGFKVTYLPQVQDB-UHFFFAOYSA-M |
The XLogP value of 1.8689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide. With a topological polar surface area (TPSA) of 3.2 Ų, Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide has 0 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 Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide is 111355-09-0.
The molecular formula of Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide is C20H25Cl2IN2.
The molecular weight of Piperazinium, 4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methyl-, iodide is 490.04395 g/mol.
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