TL;DR: Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- (CAS 103595-54-6) is a chemical compound with molecular formula C21H27ClN2O5S and molecular weight 454.13293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)sulfonylethyl]piperazine
Also Known As: Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)-, 1-(4-Chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)piperazine, 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)sulfonylethyl]piperazine, 1-(4-Chlorophenyl)-4-[2-(2,3,4-trimethoxybenzene-1-sulfonyl)ethyl]piperazine
| Molecular Formula | C21H27ClN2O5S |
| Molecular Weight | 454.13293 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.13293 Da |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
| SMILES | COC1=C(C(=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=C(C=C3)Cl)OC)OC |
| InChIKey | ZLSNBVNYDTVTNM-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- is 103595-54-6.
The molecular formula of Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- is C21H27ClN2O5S.
The molecular weight of Piperazine, 1-(4-chlorophenyl)-4-(2-((2,3,4-trimethoxyphenyl)sulfonyl)ethyl)- is 454.13293 g/mol.
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