TL;DR: Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) (CAS 63981-69-1) is a chemical compound with molecular formula C14H23IN2O2 and molecular weight 378.08044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(dimethylcarbamoyloxy)-2-ethylphenyl]-trimethylazanium iodide
Also Known As: (2-Ethyl-4-hydroxyphenyl)trimethylammonium iodide dimethylcarbamate (ester), Carbamic acid, N,N-dimethyl-, 4-dimethylamino-3-ethylphenyl ester, methiodide, [4-(dimethylcarbamoyloxy)-2-ethylphenyl]-trimethylazanium iodide, Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-ethyl)phenyl)trimethyl-, iodide, Ammonium, ((4-hydroxy-2-ethyl)phenyl)trimethyl-, iodide, dimethylcarbamate
| Molecular Formula | C14H23IN2O2 |
| Molecular Weight | 378.08044 g/mol |
| XLogP | -0.49 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.08044 Da |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
| SMILES | CCC1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C.[I-] |
| InChIKey | FQWMVGJQWMIQMQ-UHFFFAOYSA-M |
The XLogP value of -0.49 indicates that Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) is 63981-69-1.
The molecular formula of Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) is C14H23IN2O2.
The molecular weight of Ammonium, (2-ethyl-4-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester) is 378.08044 g/mol.
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