TL;DR: Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide (CAS 101710-63-8) is a chemical compound with molecular formula C18H34Br2N2O4 and molecular weight 500.08853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxypropyl-[[4-[[2,3-dihydroxypropyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium dibromide
Also Known As: Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide, (p-Phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethylammonium bromide), 2,3-dihydroxypropyl-[[4-[[2,3-dihydroxypropyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium dibromide, N,N'-[1,4-Phenylenebis(methylene)]bis(2,3-dihydroxy-N,N-dimethylpropan-1-aminium) dibromide
| Molecular Formula | C18H34Br2N2O4 |
| Molecular Weight | 500.08853 g/mol |
| XLogP | -6.4462 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.08853 Da |
| Heavy Atoms | 26 |
| Complexity | 321.0 |
| SMILES | C[N+](C)(CC1=CC=C(C=C1)C[N+](C)(C)CC(CO)O)CC(CO)O.[Br-].[Br-] |
| InChIKey | BUHUTLRCSXLELJ-UHFFFAOYSA-L |
The XLogP value of -6.4462 indicates that Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide. Following Lipinski's Rule of Five, Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide is 101710-63-8.
The molecular formula of Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide is C18H34Br2N2O4.
The molecular weight of Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide is 500.08853 g/mol.
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