TL;DR: Caproamphoglycinate (CAS 68647-46-1) is a chemical compound with molecular formula C15H29N2NaO4 and molecular weight 324.2025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium;2-[3-(2-hydroxyethyl)-2-octyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
Also Known As: Caproamphoglycinate, Sodium caproamphoacetate, 1H-Imidazole-1-ethanol, 4,5-dihydro-2-nonyl, carboxymethylated, sodium salt, 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-nonyl-, hydroxide, monosodium salt, 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-nonyl-, hydroxide, sodium salt (1:1:1)
| Molecular Formula | C15H29N2NaO4 |
| Molecular Weight | 324.2025 g/mol |
| XLogP | -2.97 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.2025 Da |
| Heavy Atoms | 22 |
| Complexity | 324.0 |
| SMILES | CCCCCCCCC1=[N+](CCN1CCO)CC(=O)[O-].[OH-].[Na+] |
| InChIKey | SJMZUJMZRDAQFM-UHFFFAOYSA-M |
The XLogP value of -2.97 indicates that Caproamphoglycinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Caproamphoglycinate. Following Lipinski's Rule of Five, Caproamphoglycinate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Caproamphoglycinate is 68647-46-1.
The molecular formula of Caproamphoglycinate is C15H29N2NaO4.
The molecular weight of Caproamphoglycinate is 324.2025 g/mol.
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