TL;DR: (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate (CAS 1008942-27-5) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
Also Known As: (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate, (7,8-Dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl 7a-methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
| Molecular Formula | C20H21NO5S |
| Molecular Weight | 387.11404 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.11404 Da |
| Heavy Atoms | 27 |
| Complexity | 706.0 |
| SMILES | CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CSC4(N3C(=O)CC4)C)C |
| InChIKey | MJRJAURTSRAMPJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate. Following Lipinski's Rule of Five, (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate is 1008942-27-5.
The molecular formula of (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate is C20H21NO5S.
The molecular weight of (7,8-dimethyl-2-oxochromen-4-yl)methyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate is 387.11404 g/mol.
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