TL;DR: [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate (CAS 1093407-65-8) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.1784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,5-diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate
Also Known As: [4,5-diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate|4-tert-butylphenyl 2,3,4-tri-O-acetylpentopyranoside|F1507-0098|SR-01000012964-1|4,5-BIS(ACETYLOXY)-2-(4-TERT-BUTYLPHENOXY)OXAN-3-YL ACETATE|2-(4-(tert-butyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate|4,5-diacetoxy-2-(p-tert-butylphenoxy)tetrahydro-2H-pyran-3-yl acetate|4,5-diacetyloxy-2-[4-(tert-butyl)phenoxy]-2H-3,4,5,6-tetrahydropyran-3-yl acet ate|SMSSF-0041384|STK894983|ST50073368|SR-01000012964
| Molecular Formula | C21H28O8 |
| Molecular Weight | 408.1784 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.1784 Da |
| Heavy Atoms | 29 |
| Complexity | 588.0 |
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2=CC=C(C=C2)C(C)(C)C |
| InChIKey | YQHDZSXCUIGEGY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate. Following Lipinski's Rule of Five, [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate is 1093407-65-8.
The molecular formula of [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate is C21H28O8.
The molecular weight of [4,5-Diacetyloxy-6-(4-tert-butylphenoxy)oxan-3-yl] acetate is 408.1784 g/mol.
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