TL;DR: 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate (CAS 1302611-28-4) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-bromoanilino)-2-oxoethyl] 2-(4-methylphenyl)acetate
Also Known As: [2-(3-bromoanilino)-2-oxoethyl] 2-(4-methylphenyl)acetate|2-[(3-bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate|[(3-BROMOPHENYL)CARBAMOYL]METHYL 2-(4-METHYLPHENYL)ACETATE|2-((3-bromophenyl)amino)-2-oxoethyl 2-(p-tolyl)acetate|F6609-3408|STL352777
| Molecular Formula | C17H16BrNO3 |
| Molecular Weight | 361.03137 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.03137 Da |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
| SMILES | CC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)Br |
| InChIKey | ONEJXAOTBKSYEO-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)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-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate 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 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate is 1302611-28-4.
The molecular formula of 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate is C17H16BrNO3.
The molecular weight of 2-[(3-Bromophenyl)amino]-2-oxoethyl (4-methylphenyl)acetate is 361.03137 g/mol.
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