TL;DR: 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride (CAS 139050-15-0) is a chemical compound with molecular formula C44H32Cl2N4O12S4 and molecular weight 1006.02765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[10,15,20-tris(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid;dihydrochloride
Also Known As: MESO-TETRA(4-SULFONATOPHENYL)PORPHINE DIHYDROCHLORIDE, 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride, 4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaen-2-yl]benzenesulfonic acid dihydrochloride
| Molecular Formula | C44H32Cl2N4O12S4 |
| Molecular Weight | 1006.02765 g/mol |
| XLogP | 9.154 |
| Topological Polar Surface Area (TPSA) | 308.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 1006.02765 Da |
| Heavy Atoms | 66 |
| Complexity | 1960.0 |
| SMILES | C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.Cl.Cl |
| InChIKey | NKFNXEAOPWQTRW-UHFFFAOYSA-N |
The XLogP value of 9.154 indicates that 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 308.0 Ų indicates high polarity, suggesting 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride is 139050-15-0.
The molecular formula of 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride is C44H32Cl2N4O12S4.
The molecular weight of 5,10,15,20-Tetrakis(4-sulfophenyl)porphyrin-21,23-diium dichloride is 1006.02765 g/mol.
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