TL;DR: 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid (CAS 1008023-63-9) is a chemical compound with molecular formula C8H9NO5S and molecular weight 231.02014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid
Also Known As: 5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid, 5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylicacid, 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid, 2-oxo-6-thia-1-azabicyclo[3.3.0]octane-5,8-dicarboxylic Acid, 5-oxo-hexahydropyrrolo(2,1-b)(1,3)thiazole-3,7a-dicarboxylic acid
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.02014 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02014 Da |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
| SMILES | C1CC2(N(C1=O)C(CS2)C(=O)O)C(=O)O |
| InChIKey | GGRNQYLYTAMESX-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid. Following Lipinski's Rule of Five, 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid is 1008023-63-9.
The molecular formula of 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid is C8H9NO5S.
The molecular weight of 5-Oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3,7a-dicarboxylic acid is 231.02014 g/mol.
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