TL;DR: Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate (CAS 116502-73-9) is a chemical compound with molecular formula C21H28N3O16S2 and molecular weight 642.0911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: BSSDA, Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate, bis(sulfo-N-succinimidyl) doxyl-2-spiro-5/'-azelate, 2,2-Bis(4-((2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy)-4-oxobutyl)-4,4-dimethyl-3-oxazolidinyloxy, 1-[4-[2-[4-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-4-oxobutyl]-3-
| Molecular Formula | C21H28N3O16S2 |
| Molecular Weight | 642.0911 g/mol |
| XLogP | -3.8 |
| Topological Polar Surface Area (TPSA) | 266.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 642.0911 Da |
| Heavy Atoms | 42 |
| Complexity | 1290.0 |
| SMILES | CC1(COC(N1[O])(CCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)CCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)C |
| InChIKey | UEOCILPYWSZCBW-UHFFFAOYSA-N |
The XLogP value of -3.8 indicates that Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate is 116502-73-9.
The molecular formula of Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate is C21H28N3O16S2.
The molecular weight of Bis(sulfo-N-succinimidyl) doxyl-2-spiro-5'-azelate is 642.0911 g/mol.
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