TL;DR: zinc histidinate (CAS 144071-79-4) is a chemical compound with molecular formula C12H16N6O4Zn and molecular weight 372.05246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
zinc bis(2-amino-3-(1H-imidazol-5-yl)propanoate)
Also Known As: zinc histidinate, Zinc bis(histidinate), zinc 2-amino-3-(1H-imidazol-5-yl)propanoate, Zinc;2-amino-3-(1H-imidazol-5-yl)propanoate, Zinc bis[2-amino-3-(1H-imidazol-5-yl)propanoate]
| Molecular Formula | C12H16N6O4Zn |
| Molecular Weight | 372.05246 g/mol |
| XLogP | -3.9437 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.05246 Da |
| Heavy Atoms | 23 |
| Complexity | 145.0 |
| SMILES | C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Zn+2] |
| InChIKey | BRKFIPNBXFDCDM-UHFFFAOYSA-L |
The XLogP value of -3.9437 indicates that zinc histidinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting zinc histidinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, zinc histidinate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of zinc histidinate is 144071-79-4.
The molecular formula of zinc histidinate is C12H16N6O4Zn.
The molecular weight of zinc histidinate is 372.05246 g/mol.
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