TL;DR: 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate (CAS 1022834-94-1) is a chemical compound with molecular formula C24H26N2O7S and molecular weight 486.14606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-O-ethyl 4-O-methyl 5-(4,6-dioxo-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate, 2-O-ethyl 4-O-methyl 5-(4,6-dioxo-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C24H26N2O7S |
| Molecular Weight | 486.14606 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.14606 Da |
| Heavy Atoms | 34 |
| Complexity | 817.0 |
| SMILES | CCCC1C2C(C(=O)N(C2=O)C3=C(C(=C(S3)C(=O)OCC)C)C(=O)OC)ON1C4=CC=CC=C4 |
| InChIKey | BZRJBFDWPMQDDN-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate is 1022834-94-1.
The molecular formula of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate is C24H26N2O7S.
The molecular weight of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate is 486.14606 g/mol.
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