TL;DR: 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid (CAS 112170-24-8) is a chemical compound with molecular formula C11H11N3O6S and molecular weight 313.03687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoic acid
Also Known As: BCI 137, 2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid, BAS 07870068, ((2,3-Dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)sulfonyl)alanine, 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoic acid
| Molecular Formula | C11H11N3O6S |
| Molecular Weight | 313.03687 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.03687 Da |
| Heavy Atoms | 21 |
| Complexity | 569.0 |
| SMILES | CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2 |
| InChIKey | VMSRTLYZOWBBFW-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid is 112170-24-8.
The molecular formula of 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid is C11H11N3O6S.
The molecular weight of 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid is 313.03687 g/mol.
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