TL;DR: Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, dibromide (CAS 116569-54-1) is a chemical compound with molecular formula C22H50Br2N4 and molecular weight 528.24023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[2-[diethyl(propyl)azaniumyl]ethyl]piperazin-1-yl]ethyl-diethyl-propylazanium dibromide
Also Known As: 163 HC, P.M. 530, (1,4-Piperazinediyldiethylene)bis(diethylpropylammonium bromide), AMMONIUM, (1,4-PIPERAZINEDIYLDIETHYLENE)BIS(DIETHYLPROPYL-, DIBROMIDE, n,n'-(piperazine-1,4-diyldiethane-2,1-diyl)bis(n,n-diethylpropan-1-aminium) dibromide
| Molecular Formula | C22H50Br2N4 |
| Molecular Weight | 528.24023 g/mol |
| XLogP | -2.85 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 530.23816 Da |
| Heavy Atoms | 28 |
| Complexity | 308.0 |
| SMILES | CCC[N+](CC)(CC)CCN1CCN(CC1)CC[N+](CC)(CC)CCC.[Br-].[Br-] |
| InChIKey | HZEQIJKCDDUHPD-UHFFFAOYSA-L |
The XLogP value of -2.85 indicates that Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Ų, Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, 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(diethylpropyl-, dibromide is 116569-54-1.
The molecular formula of Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, dibromide is C22H50Br2N4.
The molecular weight of Ammonium, (1,4-piperazinediyldiethylene)bis(diethylpropyl-, dibromide is 528.24023 g/mol.
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