TL;DR: Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate (CAS 1100756-34-0) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
Also Known As: ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate, 12R-0250, ethyl 5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate, ethyl 5-oxo-2H,3H,5H,9bH-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.0616 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0616 Da |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
| SMILES | CCOC(=O)C1CSC2N1C(=O)C3=CC=CC=C23 |
| InChIKey | KPDBWWAICDPIKD-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is 1100756-34-0.
The molecular formula of Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is C13H13NO3S.
The molecular weight of Ethyl 5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is 263.0616 g/mol.
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