TL;DR: 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 1203352-22-0) is a chemical compound with molecular formula C35H36N2O6S and molecular weight 612.22943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C35H36N2O6S |
| Molecular Weight | 612.22943 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 612.22943 Da |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
| SMILES | CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C)OCC |
| InChIKey | KPTNLZOWTILMRI-NHQGMKOOSA-N |
The XLogP value of 8.2 indicates that 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 1203352-22-0.
The molecular formula of 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is C35H36N2O6S.
The molecular weight of 5-(3-ethoxy-4-(pentyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one is 612.22943 g/mol.
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