TL;DR: Manganese porphyrin-pyridinium complex (CAS 127617-94-1) is a chemical compound with molecular formula C49H45MnN8O2+4 and molecular weight 832.30457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridinylidene)porphyrin-23-id-5-yl]phenyl]-trimethylazanium;manganese(3+);acetate
Also Known As: Manganese porphyrin-pyridinium complex, Trimethylammoniophenyl-tris(methylpyridinium)acetato-manganese-porphine tetraacetate, [4-[10,15-bis(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-23-id-5-yl]phenyl]-trimethylazanium; manganese(3+); acetate, Manganese(3+), (acetato-O)[[4,4',4''-[20-[4-(trimethylammonio)phenyl]-21H,23H-porphine-5,10,15-triyl]tris[1-methylpyridiniumnato]](2-)-N21,N22,N23,N24]-, (SP-5-13)-, manganic trimethyl-[4-[(5Z,10Z,14Z,19Z)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]phenyl]ammonium
| Molecular Formula | C49H45MnN8O2+4 |
| Molecular Weight | 832.30457 g/mol |
| XLogP | 5.4887 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 832.30457 Da |
| Heavy Atoms | 60 |
| Complexity | 1850.0 |
| SMILES | CC(=O)[O-].CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=C(C=C9)[N+](C)(C)C)C=C3)C=C1.[Mn+3] |
| InChIKey | ZZFJZOJKEBSXNY-UHFFFAOYSA-M |
The XLogP value of 5.4887 indicates that Manganese porphyrin-pyridinium complex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Manganese porphyrin-pyridinium complex. Following Lipinski's Rule of Five, Manganese porphyrin-pyridinium complex has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Manganese porphyrin-pyridinium complex is 127617-94-1.
The molecular formula of Manganese porphyrin-pyridinium complex is C49H45MnN8O2+4.
The molecular weight of Manganese porphyrin-pyridinium complex is 832.30457 g/mol.
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