TL;DR: 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine (CAS 441314-74-5) is a chemical compound with molecular formula C20H26N2O4S and molecular weight 390.16132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
Also Known As: MixCom6_002229, BAS 02500594, BIM-0040046.P001, 1-(2,4-dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine, 1-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
| Molecular Formula | C20H26N2O4S |
| Molecular Weight | 390.16132 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.16132 Da |
| Heavy Atoms | 27 |
| Complexity | 549.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)OC)OC |
| InChIKey | MZASUZLPFQXWES-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine. Following Lipinski's Rule of Five, 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine 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 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is 441314-74-5.
The molecular formula of 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is C20H26N2O4S.
The molecular weight of 1-(2,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is 390.16132 g/mol.
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