TL;DR: METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE (CAS 1024415-60-8) is a chemical compound with molecular formula C21H23ClF3N3O6S and molecular weight 537.09485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate
Also Known As: METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE, methyl 2-[2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)-4,5-dimethoxyphenyl]acetate, methyl 2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate, methyl 2-[2-({4-[3-chloro-5-(trifluoromethyl)(2-pyridyl)]piperazinyl}sulfonyl) -4,5-dimethoxyphenyl]acetate, methyl 2-[2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}sulfonyl)-4,5-dimethoxyphenyl]acetate
| Molecular Formula | C21H23ClF3N3O6S |
| Molecular Weight | 537.09485 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.09485 Da |
| Heavy Atoms | 35 |
| Complexity | 822.0 |
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)OC |
| InChIKey | BWVSBTBLHKPLKL-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE. Following Lipinski's Rule of Five, METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 1024415-60-8.
The molecular formula of METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is C21H23ClF3N3O6S.
The molecular weight of METHYL 2-(2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 537.09485 g/mol.
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