TL;DR: 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester (CAS 143877-57-0) is a chemical compound with molecular formula C24H25F8N3O8S2 and molecular weight 699.0955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[[2,4-bis(2,2,3,3-tetrafluoropropoxysulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate
Also Known As: 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester, 2-[[4-[2,4-bis(2,2,3,3-tetrafluoropropoxysulfonyl)phenyl]diazenylphenyl]-ethyl-amino]ethyl Acetate, 2-[4-[[2,4-bis(2,2,3,3-tetrafluoropropoxysulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate
| Molecular Formula | C24H25F8N3O8S2 |
| Molecular Weight | 699.0955 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Exact Mass | 699.0955 Da |
| Heavy Atoms | 45 |
| Complexity | 1190.0 |
| SMILES | CCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)OCC(C(F)F)(F)F)S(=O)(=O)OCC(C(F)F)(F)F |
| InChIKey | FKGRTFIIMYBQSK-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester is 143877-57-0.
The molecular formula of 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester is C24H25F8N3O8S2.
The molecular weight of 1,3-Benzenedisulfonic acid, 4-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-, 1,3-bis(2,2,3,3-tetrafluoropropyl) ester is 699.0955 g/mol.
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