TL;DR: Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) (CAS 62796-24-1) is a chemical compound with molecular formula C16H19IN2O2 and molecular weight 398.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-aminobenzoyl)oxyphenyl]-trimethylazanium iodide
Also Known As: Benzenaminium, 3-((2-aminobenzoyl)oxy)-N,N,N-trimethyl-, iodide, 3-[(2-aminobenzoyl)oxy]-n,n,n-trimethylanilinium iodide, [3-(2-aminobenzoyl)oxyphenyl]-trimethylazanium iodide, Benzenaminium, 3-((2-aminobenzoyl)oxy)-N,N,N-trimethyl-, iodide (1:1), Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide
| Molecular Formula | C16H19IN2O2 |
| Molecular Weight | 398.04913 g/mol |
| XLogP | -0.31 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.04913 Da |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2N.[I-] |
| InChIKey | RVGXQXOELJCIEO-UHFFFAOYSA-N |
The XLogP value of -0.31 indicates that Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) has 1 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 Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) is 62796-24-1.
The molecular formula of Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) is C16H19IN2O2.
The molecular weight of Benzenaminium, 3-[(2-aminobenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1) is 398.04913 g/mol.
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