TL;DR: Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate) (CAS 106422-81-5) is a chemical compound with molecular formula C26H42N4O4 and molecular weight 474.32062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-aminobenzoate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
Also Known As: Hexamethylenebis(trimethylammonium p-aminobenzoate), AMMONIUM, HEXAMETHYLENEBIS(TRIMETHYL-, BIS(p-AMINOBENZOATE), Hexamethylenebis(trimethylammoniump-aminobenzoate), 4-aminobenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium, 4-Aminobenzoate; 4-aminobenzoate;trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
| Molecular Formula | C26H42N4O4 |
| Molecular Weight | 474.32062 g/mol |
| XLogP | 1.22 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.32062 Da |
| Heavy Atoms | 34 |
| Complexity | 243.0 |
| SMILES | C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N |
| InChIKey | LZTHOEPUGDMIHJ-UHFFFAOYSA-L |
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate). The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate). Following Lipinski's Rule of Five, Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate) is 106422-81-5.
The molecular formula of Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate) is C26H42N4O4.
The molecular weight of Ammonium, hexamethylenebis(trimethyl-, bis(p-aminobenzoate) is 474.32062 g/mol.
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