TL;DR: ethyl 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate (CAS 1189773-98-5) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
Also Known As: ethyl 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate, 11R-0319, ethyl 9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate, ethyl 9b-methyl-5-oxo-2H,3H,5H,9bH-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
| Molecular Formula | C14H15NO3S |
| Molecular Weight | 277.07727 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.07727 Da |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
| SMILES | CCOC(=O)C1CSC2(N1C(=O)C3=CC=CC=C32)C |
| InChIKey | GTNWMTWDVMTSOM-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 9b-methyl-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 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 9b-methyl-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 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is 1189773-98-5.
The molecular formula of ethyl 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is C14H15NO3S.
The molecular weight of ethyl 9b-methyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate is 277.07727 g/mol.
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