TL;DR: Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide (CAS 121426-07-1) is a chemical compound with molecular formula C30H48Br2Cl2N4 and molecular weight 692.1623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium dibromide
Also Known As: 191 HC, Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide, (1,4-Piperazinediyldiethylene)bis((p-chlorobenzyl)diethylammonium bromide), Di((p-chloro-chlorobenzylate)) de N-N bis (diethylaminoethyl)piperazine [French], Di((p-chloro-chlorobenzylate)) de N-N bis (diethylaminoethyl)piperazine
| Molecular Formula | C30H48Br2Cl2N4 |
| Molecular Weight | 692.1623 g/mol |
| XLogP | 0.03 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 694.1602 Da |
| Heavy Atoms | 38 |
| Complexity | 534.0 |
| SMILES | CC[N+](CC)(CCN1CCN(CC1)CC[N+](CC)(CC)CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl.[Br-].[Br-] |
| InChIKey | JUWMVMXSLBUVFO-UHFFFAOYSA-L |
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide. With a topological polar surface area (TPSA) of 6.5 Ų, Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide is 121426-07-1.
The molecular formula of Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide is C30H48Br2Cl2N4.
The molecular weight of Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide is 692.1623 g/mol.
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