TL;DR: Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate (CAS 63981-92-0) is a chemical compound with molecular formula C14H23ClN2O2 and molecular weight 286.1448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride
Also Known As: Ammonium, (4-methylcarbamoyloxy-o-cumenyl)trimethyl-, chloride, Carbamic acid, methyl-, (4-trimethylammonio)-m-cumenyl ester, chloride, AMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, CHLORIDE, METHYLCARBAMATE, Carbamic acid, N-methyl-, 3-isopropyl-4-dimethylaminophenyl ester, methochloride, trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride
| Molecular Formula | C14H23ClN2O2 |
| Molecular Weight | 286.1448 g/mol |
| XLogP | -0.27 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.1448 Da |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)C.[Cl-] |
| InChIKey | OISRLGZFBHIFIQ-UHFFFAOYSA-N |
The XLogP value of -0.27 indicates that Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, 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-o-cumenyl)trimethyl-, chloride, methylcarbamate is 63981-92-0.
The molecular formula of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate is C14H23ClN2O2.
The molecular weight of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate is 286.1448 g/mol.
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