TL;DR: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 487025-13-8) is a chemical compound with molecular formula C28H26N2O6S and molecular weight 518.1512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C28H26N2O6S |
| Molecular Weight | 518.1512 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1512 Da |
| Heavy Atoms | 37 |
| Complexity | 930.0 |
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)C)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C |
| InChIKey | CPNBFJRSCRWHMF-XTQSDGFTSA-N |
The XLogP value of 5.8 indicates that allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-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 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 487025-13-8.
The molecular formula of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C28H26N2O6S.
The molecular weight of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 518.1512 g/mol.
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