TL;DR: RefChem:319374 (CAS 63982-11-6) is a chemical compound with molecular formula C42H54Br2N2 and molecular weight 744.2654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(9,10-dihydroanthracen-9-yl)ethyl-[6-[2-(9,10-dihydroanthracen-9-yl)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Also Known As: Ammonium, hexamethylenebis((beta-9,10-dihydroanthracen-9-ylethyl)dimethyl-, dibromide, 1,6-Hexanediaminium, N,N'-bis(2-(9,10-dihydro-9-anthracenyl)ethyl)-N,N,N',N'-tetramethyl-, 2Br, 1,6-Hexanediaminium, N,N'-bis[2-(9,10-dihydro-9-anthracenyl)ethyl]-N,N,N',N'-tetramethyl-, dibromide, 2-(9,10-dihydroanthracen-9-yl)ethyl-[6-[2-(9,10-dihydroanthracen-9-yl)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide, N~1~,N~6~-Bis[2-(9,10-dihydroanthracen-9-yl)ethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
| Molecular Formula | C42H54Br2N2 |
| Molecular Weight | 744.2654 g/mol |
| XLogP | 2.96 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 746.2633 Da |
| Heavy Atoms | 46 |
| Complexity | 748.0 |
| SMILES | C[N+](C)(CCCCCC[N+](C)(C)CCC1C2=CC=CC=C2CC3=CC=CC=C13)CCC4C5=CC=CC=C5CC6=CC=CC=C46.[Br-].[Br-] |
| InChIKey | WAPDTOWISVAGFL-UHFFFAOYSA-L |
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319374. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:319374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319374 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:319374 is 63982-11-6.
The molecular formula of RefChem:319374 is C42H54Br2N2.
The molecular weight of RefChem:319374 is 744.2654 g/mol.
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