TL;DR: Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate (CAS 106827-57-0) is a chemical compound with molecular formula C13H13NO8S and molecular weight 343.0362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Also Known As: Sulfo-shpp, Sulfosuccinimidyl 3-(4-Hydroxyphenyl)propionate, Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate, 1-(3-(4-Hydroxyphenyl)-1-oxopropoxy)-2,5-dioxo-3-pyrrolidinesulfonic acid, 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H13NO8S |
| Molecular Weight | 343.0362 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.0362 Da |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
| SMILES | C1C(C(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O)S(=O)(=O)O |
| InChIKey | DIJUCTBXTPCIMF-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate. The TPSA of 147.0 Ų indicates high polarity, suggesting Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate is 106827-57-0.
The molecular formula of Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate is C13H13NO8S.
The molecular weight of Sulfosuccinimidyl-3-(4-hydroxyphenyl)propionate is 343.0362 g/mol.
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