TL;DR: Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide (CAS 63981-74-8) is a chemical compound with molecular formula C38H48Br2N4S2 and molecular weight 782.1687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[dimethyl(2-phenothiazin-10-ylethyl)azaniumyl]hexyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium dibromide
Also Known As: Hexamethylenebis((beta-phenothiazin-10-yl)dimethylammonium bromide), AMMONIUM, HEXAMETHYLENEBIS(2-PHENOTHIAZIN-10-YLETHYL)DIMETHYL-, DIBROMIDE, 1,6-Hexanediaminium, N,N,N',N'-tetramethyl-N,N'-bis(2-(10H-phenothiazin-10-yl)ethyl)-, 2Br, 1,6-Hexanediaminium, N,N,N',N'-tetramethyl-N,N'-bis[2-(10H-phenothiazin-10-yl)ethyl]-, dibromide, 6-[dimethyl(2-phenothiazin-10-ylethyl)azaniumyl]hexyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium dibromide
| Molecular Formula | C38H48Br2N4S2 |
| Molecular Weight | 782.1687 g/mol |
| XLogP | 3.31 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 784.1667 Da |
| Heavy Atoms | 46 |
| Complexity | 767.0 |
| SMILES | C[N+](C)(CCCCCC[N+](C)(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCN4C5=CC=CC=C5SC6=CC=CC=C64.[Br-].[Br-] |
| InChIKey | UCXDVCFOPGOFBK-UHFFFAOYSA-L |
The XLogP value of 3.31 indicates that Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide is 63981-74-8.
The molecular formula of Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide is C38H48Br2N4S2.
The molecular weight of Ammonium, hexamethylenebis(2-phenothiazin-10-ylethyl)dimethyl-, dibromide is 782.1687 g/mol.
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