TL;DR: 2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 1003506-27-1) is a chemical compound with molecular formula C19H22N2O4S and molecular weight 374.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
Also Known As: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate, F6609-3976, [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate, 2-(4-(4-methoxyphenyl)piperazin-1-yl)-2-oxoethyl 3-methylthiophene-2-carboxylate
| Molecular Formula | C19H22N2O4S |
| Molecular Weight | 374.13004 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.13004 Da |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
| SMILES | CC1=C(SC=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC |
| InChIKey | YYKUBWIYLVYXMX-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-[4-(4-Methoxyphenyl)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 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-[4-(4-Methoxyphenyl)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-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is 1003506-27-1.
The molecular formula of 2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is C19H22N2O4S.
The molecular weight of 2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl 3-methylthiophene-2-carboxylate is 374.13004 g/mol.
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