TL;DR: ferric-N-(3-phenylglutaryl)desferrioxamine B (CAS 134001-02-8) is a chemical compound with molecular formula C36H55FeN6O11 and molecular weight 803.3278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[5-[[4-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-5-oxo-3-phenylpentanoate;hydron;iron(3+)
Also Known As: Fe-Pgdf, Ferric-N-(3-phenylglutaryl)desferrioxamine B, 5-[5-[[4-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-5-oxo-3-phenylpentanoate;hydron;iron(3+), Ferrate(1-), (3,14,25-trihydrozy-2,10,13,21,24,32-hexaoxo-34-phenyl-3,9,14,20,25,31-hexaazahexatriacontan-36-oato(4-)-O2,O3,O13,O14,O24,O25)-, hydrogen, 5-[5-[[4-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-5-oxo-3-phenylpentanoate,hydron,iron(3+)
| Molecular Formula | C36H55FeN6O11 |
| Molecular Weight | 803.3278 g/mol |
| XLogP | 1.8293 |
| Topological Polar Surface Area (TPSA) | 258.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 28 |
| Exact Mass | 803.3278 Da |
| Heavy Atoms | 54 |
| Complexity | 1130.0 |
| SMILES | [H+].CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CC(CC(=O)[O-])C1=CC=CC=C1)[O-])[O-])[O-].[Fe+3] |
| InChIKey | VQGUIMBJPIIVIR-UHFFFAOYSA-N |
The XLogP value of 1.8293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ferric-N-(3-phenylglutaryl)desferrioxamine B. The TPSA of 258.0 Ų indicates high polarity, suggesting ferric-N-(3-phenylglutaryl)desferrioxamine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ferric-N-(3-phenylglutaryl)desferrioxamine B has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ferric-N-(3-phenylglutaryl)desferrioxamine B is 134001-02-8.
The molecular formula of ferric-N-(3-phenylglutaryl)desferrioxamine B is C36H55FeN6O11.
The molecular weight of ferric-N-(3-phenylglutaryl)desferrioxamine B is 803.3278 g/mol.
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