TL;DR: dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate (CAS 66657-09-8) is a chemical compound with molecular formula C33H28N2O11 and molecular weight 628.1693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate
Also Known As: dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate, Dimethyl 1-(2,3,5-tri-O-benzoylpentofuranosyl)-1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C33H28N2O11 |
| Molecular Weight | 628.1693 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 628.1693 Da |
| Heavy Atoms | 46 |
| Complexity | 1080.0 |
| SMILES | COC(=O)C1=C(N(C=N1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(=O)OC |
| InChIKey | CKQUEGAZUMRCCX-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate is 66657-09-8.
The molecular formula of dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate is C33H28N2O11.
The molecular weight of dimethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate is 628.1693 g/mol.
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