TL;DR: 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CAS 1022831-63-5) is a chemical compound with molecular formula C18H21BrN2O4S and molecular weight 440.04053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
Also Known As: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine, AB00049052-01, AP-263/43418934, 1-(5-bromo-2-methoxybenzenesulfonyl)-4-(4-methoxyphenyl)piperazine, 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
| Molecular Formula | C18H21BrN2O4S |
| Molecular Weight | 440.04053 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.04053 Da |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC |
| InChIKey | ZWNRMQZHNZBRCC-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)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-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is 1022831-63-5.
The molecular formula of 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is C18H21BrN2O4S.
The molecular weight of 1-(5-Bromo-2-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is 440.04053 g/mol.
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