TL;DR: Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester (CAS 14035-21-3) is a chemical compound with molecular formula C13H19IN2O4 and molecular weight 394.03894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-trimethylazanium iodide
Also Known As: Methyl 4-(2-(dimethylamino)acetylamino)salicylate, methiodide, Salicylic acid, 4-(2-dimethylaminoacetamido)-, methyl ester, methiodide, AMMONIUM, (4-CARBOXY-3-HYDROXYCARBANILINOMETHYL)TRIMETHYL-, IODIDE, METHYL ESTER, [2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-trimethylazaniumiodide, [2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-trimethylazanium iodide
| Molecular Formula | C13H19IN2O4 |
| Molecular Weight | 394.03894 g/mol |
| XLogP | -2.17 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.03894 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C[N+](C)(C)CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.[I-] |
| InChIKey | QALLICVLMVNBNX-UHFFFAOYSA-N |
The XLogP value of -2.17 indicates that Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester. Following Lipinski's Rule of Five, Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester is 14035-21-3.
The molecular formula of Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester is C13H19IN2O4.
The molecular weight of Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester is 394.03894 g/mol.
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