TL;DR: Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate (CAS 63981-91-9) is a chemical compound with molecular formula C15H25ClN2O2 and molecular weight 300.16046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(dimethylcarbamoyloxy)-2-propan-2-ylphenyl]-trimethylazanium chloride
Also Known As: Carbamic acid, dimethyl-, ((4-trimethylammonio)-3-isopropyl)phenyl ester, chloride, Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-isopropyl)phenyl)trimethyl-, chloride, AMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, CHLORIDE, DIMETHYLCARBAMATE, Carbamic acid, N,N-dimethyl-, 3-isopropyl-4-dimethylaminophenyl ester methochloride, [4-(dimethylcarbamoyloxy)-2-propan-2-ylphenyl]-trimethylazanium chloride
| Molecular Formula | C15H25ClN2O2 |
| Molecular Weight | 300.16046 g/mol |
| XLogP | 0.07 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.16046 Da |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C.[Cl-] |
| InChIKey | DCGLBJROWAVZBU-UHFFFAOYSA-M |
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate 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, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate is 63981-91-9.
The molecular formula of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate is C15H25ClN2O2.
The molecular weight of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate is 300.16046 g/mol.
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