TL;DR: 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide (CAS 15172-86-8) is a chemical compound with molecular formula C28H26Br2N2O2 and molecular weight 580.0361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide
Also Known As: Platinum bis(acetylacetonate), 3-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide, 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide, 4,4'-Bisacetophenone-alpha,alpha'-di(3-methylpyridinium)dibromide, 1,1'-(4,4'-Biphenylenebis(2-oxoethylene))bis(3-methylpyridinium) dibromide
| Molecular Formula | C28H26Br2N2O2 |
| Molecular Weight | 580.0361 g/mol |
| XLogP | -1.68 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 582.03406 Da |
| Heavy Atoms | 34 |
| Complexity | 565.0 |
| SMILES | CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC(=C4)C.[Br-].[Br-] |
| InChIKey | YAEANQXMMPFYHR-UHFFFAOYSA-L |
The XLogP value of -1.68 indicates that 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.9 Ų, 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide is 15172-86-8.
The molecular formula of 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide is C28H26Br2N2O2.
The molecular weight of 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide is 580.0361 g/mol.
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