TL;DR: Tris(3-bromo-4-hydroxypent-3-en-2-one);iron (CAS 15169-15-0) is a chemical compound with molecular formula C15H21Br3FeO6 and molecular weight 589.8237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(3-bromo-4-hydroxypent-3-en-2-one);iron
Also Known As: Iron, tris(3-bromopentan-2,4-dionato)-
| Molecular Formula | C15H21Br3FeO6 |
| Molecular Weight | 589.8237 g/mol |
| XLogP | 5.2769 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 589.8237 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | CC(=C(C(=O)C)Br)O.CC(=C(C(=O)C)Br)O.CC(=C(C(=O)C)Br)O.[Fe] |
| InChIKey | XVUKOAKQYLESMD-UHFFFAOYSA-N |
The XLogP value of 5.2769 indicates that Tris(3-bromo-4-hydroxypent-3-en-2-one);iron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(3-bromo-4-hydroxypent-3-en-2-one);iron. Following Lipinski's Rule of Five, Tris(3-bromo-4-hydroxypent-3-en-2-one);iron has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tris(3-bromo-4-hydroxypent-3-en-2-one);iron is 15169-15-0.
The molecular formula of Tris(3-bromo-4-hydroxypent-3-en-2-one);iron is C15H21Br3FeO6.
The molecular weight of Tris(3-bromo-4-hydroxypent-3-en-2-one);iron is 589.8237 g/mol.
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