TL;DR: Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate (CAS 63981-60-2) is a chemical compound with molecular formula C16H25IN2O2 and molecular weight 404.09607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-cyclopentyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: Carbamic acid, methyl-, (3-cyclopentyl-4-trimethylammonio)phenyl ester, iodide, Ammonium, ((2-cyclopentyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodide, AMMONIUM, ((4-HYDROXY-2-CYCLOPENTYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE, Carbamic acid, N-methyl-, 3-cyclopentyl-4-dimethylaminophenyl ester, methiodide, [2-cyclopentyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
| Molecular Formula | C16H25IN2O2 |
| Molecular Weight | 404.09607 g/mol |
| XLogP | 0.26 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.09607 Da |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
| SMILES | CNC(=O)OC1=CC(=C(C=C1)[N+](C)(C)C)C2CCCC2.[I-] |
| InChIKey | SQLBIEVXELXFRZ-UHFFFAOYSA-N |
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate has 1 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, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate is 63981-60-2.
The molecular formula of Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate is C16H25IN2O2.
The molecular weight of Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate is 404.09607 g/mol.
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