TL;DR: 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate (CAS 15339-50-1) is a chemical compound with molecular formula C12H24FeN2O8 and molecular weight 380.0882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-(ethylideneamino)-3-hydroxybutanoate);iron(2+);dihydrate
Also Known As: Ferrotrenine, Ferrotreninum, Ferrotrenina, Ferrotrenine [INN:JAN], Ferrotreninum [INN-Latin]
| Molecular Formula | C12H24FeN2O8 |
| Molecular Weight | 380.0882 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0882 Da |
| Heavy Atoms | 23 |
| Complexity | 138.0 |
| SMILES | CC=NC(C(C)O)C(=O)[O-].CC=NC(C(C)O)C(=O)[O-].O.O.[Fe+2] |
| InChIKey | IWQQNDAAVPMDJR-UHFFFAOYSA-L |
The XLogP value of -4.5 indicates that 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate is 15339-50-1.
The molecular formula of 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate is C12H24FeN2O8.
The molecular weight of 2-(Ethylideneamino)-3-hydroxybutanoate;iron(2+);dihydrate is 380.0882 g/mol.
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