TL;DR: sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate (CAS 142439-47-2) is a chemical compound with molecular formula C11H8FNO9S2 and molecular weight 380.96246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorosulfonylbenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
Also Known As: SSFSB, Sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate, 1-((4-(Fluorosulfonyl)benzoyl)oxy)-2,5-dioxo-3-pyrrolidinesulfonic acid, 1-((4-(Fluorosulfonyl)benzoyl)oxy)-2,5-dioxopyrrolidine-3-sulfonic acid, 1-(4-fluorosulfonylbenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
| Molecular Formula | C11H8FNO9S2 |
| Molecular Weight | 380.96246 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.96246 Da |
| Heavy Atoms | 24 |
| Complexity | 756.0 |
| SMILES | C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)S(=O)(=O)F)S(=O)(=O)O |
| InChIKey | ATTYFJLOQAZRCE-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate. The TPSA of 169.0 Ų indicates high polarity, suggesting sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate is 142439-47-2.
The molecular formula of sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate is C11H8FNO9S2.
The molecular weight of sulfo-N-succinimidyl-4-(fluorosulfonyl)benzoate is 380.96246 g/mol.
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