TL;DR: [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) (CAS 153562-59-5) is a chemical compound with molecular formula C24H26FNO6S2 and molecular weight 507.11856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
Also Known As: KST-1A1662, [(3-fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate), 2-[3-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]et, 2-[3-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate, [(3-nitrophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate)
| Molecular Formula | C24H26FNO6S2 |
| Molecular Weight | 507.11856 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 507.11856 Da |
| Heavy Atoms | 34 |
| Complexity | 751.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)F |
| InChIKey | ZTJNWVDVSDVMFL-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) 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 [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) is 153562-59-5.
The molecular formula of [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) is C24H26FNO6S2.
The molecular weight of [(3-Fluorophenyl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate) is 507.11856 g/mol.
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