TL;DR: methyl 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 1203030-03-8) is a chemical compound with molecular formula C33H28N2O7S and molecular weight 596.16174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 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: methyl 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, methyl 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, methyl 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 | C33H28N2O7S |
| Molecular Weight | 596.16174 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.16174 Da |
| Heavy Atoms | 43 |
| Complexity | 1090.0 |
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=CC=C5)OCC6=CC=CC=C6)/O |
| InChIKey | ZVUXVOHNCRCTPF-BYCLXTJYSA-N |
The XLogP value of 6.4 indicates that methyl 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 methyl 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, methyl 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 methyl 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 1203030-03-8.
The molecular formula of methyl 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 C33H28N2O7S.
The molecular weight of methyl 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 596.16174 g/mol.
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