TL;DR: Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester (CAS 143877-58-1) is a chemical compound with molecular formula C21H22F4N4O7S and molecular weight 550.11456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[N-ethyl-4-[[4-nitro-2-(2,2,3,3-tetrafluoropropoxysulfonyl)phenyl]diazenyl]anilino]ethyl acetate
Also Known As: Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester, 2-[N-ethyl-4-[[4-nitro-2-(2,2,3,3-tetrafluoropropoxysulfonyl)phenyl]diazenyl]anilino]ethyl acetate
| Molecular Formula | C21H22F4N4O7S |
| Molecular Weight | 550.11456 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 550.11456 Da |
| Heavy Atoms | 37 |
| Complexity | 890.0 |
| SMILES | CCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)OCC(C(F)F)(F)F |
| InChIKey | LJQJRYTXTFJLQI-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester is 143877-58-1.
The molecular formula of Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester is C21H22F4N4O7S.
The molecular weight of Benzenesulfonic acid, 2-[2-[4-[[2-(acetyloxy)ethyl]ethylamino]phenyl]diazenyl]-5-nitro-, 2,2,3,3-tetrafluoropropyl ester is 550.11456 g/mol.
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