TL;DR: Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide (CAS 1219106-08-7) is a chemical compound with molecular formula C14H15NO7S and molecular weight 341.05692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6,7-dimethoxy-1,1,5-trioxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
Also Known As: Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide, methyl 6,7-dimethoxy-1,1,5-trioxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
| Molecular Formula | C14H15NO7S |
| Molecular Weight | 341.05692 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.05692 Da |
| Heavy Atoms | 23 |
| Complexity | 613.0 |
| SMILES | COC1=C(C2=C(C=C1)C3N(C2=O)C(CS3(=O)=O)C(=O)OC)OC |
| InChIKey | KDXQKEYEMHISFI-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide. Following Lipinski's Rule of Five, Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide is 1219106-08-7.
The molecular formula of Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide is C14H15NO7S.
The molecular weight of Thiazolo[2,3-a]isoindole-3-carboxylic acid, 2,3,5,9b-tetrahydro-6,7-dimethoxy-5-oxo-, methyl ester, 1,1-dioxide is 341.05692 g/mol.
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