TL;DR: ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 1203298-51-4) is a chemical compound with molecular formula C34H30N2O7S and molecular weight 610.17737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2,3-dioxo-5-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2,3-dioxo-5-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C34H30N2O7S |
| Molecular Weight | 610.17737 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 610.17737 Da |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C2=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)C |
| InChIKey | YXDGQACNXSIEDZ-ORIPQNMZSA-N |
The XLogP value of 6.7 indicates that ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 1203298-51-4.
The molecular formula of ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C34H30N2O7S.
The molecular weight of ethyl 2-(2-(3-(benzyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 610.17737 g/mol.
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