TL;DR: 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 1241967-43-0) is a chemical compound with molecular formula C18H19FN2O3S and molecular weight 362.11005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
Also Known As: 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate, F6609-3977, [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate, 2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoethyl 3-methylthiophene-2-carboxylate
| Molecular Formula | C18H19FN2O3S |
| Molecular Weight | 362.11005 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.11005 Da |
| Heavy Atoms | 25 |
| Complexity | 485.0 |
| SMILES | CC1=C(SC=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F |
| InChIKey | DBIYVDYVUYPQQG-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is 1241967-43-0.
The molecular formula of 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is C18H19FN2O3S.
The molecular weight of 2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is 362.11005 g/mol.
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