TL;DR: 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid (CAS 1217983-08-8) 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.
2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid
Also Known As: 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,2-dimethyl-5-oxo-2H,3H,5H,9bH-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid, 2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,2-dimethyl-5-oxo-3,9b-dihydrothiazolo[2,3-a]isoindole-3-carboxylic acid
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.0616 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.0616 Da |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
| SMILES | CC1(C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)O)C |
| InChIKey | XBIXBUAXKCIZPA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid has 1 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 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid is 1217983-08-8.
The molecular formula of 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid is C13H13NO3S.
The molecular weight of 2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid is 263.0616 g/mol.
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