TL;DR: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride (CAS 15242-39-4) is a chemical compound with molecular formula C34H36ClFeN4O6 and molecular weight 687.1673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
Also Known As: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride, NSC 35997
| Molecular Formula | C34H36ClFeN4O6 |
| Molecular Weight | 687.1673 g/mol |
| XLogP | 1.84874 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 687.1673 Da |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
| SMILES | CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3] |
| InChIKey | UQHUJMUVNUXJFL-UHFFFAOYSA-K |
The XLogP value of 1.84874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is 15242-39-4.
The molecular formula of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is C34H36ClFeN4O6.
The molecular weight of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is 687.1673 g/mol.
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