TL;DR: [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (CAS 1638709-57-5) is a chemical compound with molecular formula C18H18FNO3 and molecular weight 315.12708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
Also Known As: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate|F6609-3507|2-[(2,6-dimethylphenyl)amino]-2-oxoethyl (3-fluorophenyl)acetate|[(2,6-DIMETHYLPHENYL)CARBAMOYL]METHYL 2-(3-FLUOROPHENYL)ACETATE|2-((2,6-dimethylphenyl)amino)-2-oxoethyl 2-(3-fluorophenyl)acetate|STL194718
| Molecular Formula | C18H18FNO3 |
| Molecular Weight | 315.12708 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.12708 Da |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CC2=CC(=CC=C2)F |
| InChIKey | OCSATKCROZOWPK-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is 1638709-57-5.
The molecular formula of [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is C18H18FNO3.
The molecular weight of [2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is 315.12708 g/mol.
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