TL;DR: 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid (CAS 1212143-78-6) is a chemical compound with molecular formula C10H16N2O4S and molecular weight 260.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aR,4R,6aR)-3a-hydroxy-2-oxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Also Known As: 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid, 5-(1-hydroxy-7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanoic Acid, 5-[(3aR,4R,6aR)-3a-hydroxy-2-oxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
| Molecular Formula | C10H16N2O4S |
| Molecular Weight | 260.08307 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.08307 Da |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
| SMILES | C1[C@H]2[C@@]([C@H](S1)CCCCC(=O)O)(NC(=O)N2)O |
| InChIKey | JGIJPQOHFHIFJA-NYNCVSEMSA-N |
The XLogP value of -0.4 indicates that 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid. Following Lipinski's Rule of Five, 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid is 1212143-78-6.
The molecular formula of 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid is C10H16N2O4S.
The molecular weight of 5-((3aR,4R,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid is 260.08307 g/mol.
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