TL;DR: [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate (CAS 1094814-87-5) is a chemical compound with molecular formula C20H23ClO10 and molecular weight 458.09796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4,5-triacetyloxy-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate
Also Known As: UPCMLD0ENAT5509651:001, [3,4,5-tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate, F1507-0091, [3,4,5-triacetyloxy-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate, 2-chlorophenyl 2,3,4,6-tetra-O-acetylhexopyranoside
| Molecular Formula | C20H23ClO10 |
| Molecular Weight | 458.09796 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.09796 Da |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2Cl)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | PLWVGIQOXJMZGF-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate. Following Lipinski's Rule of Five, [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate is 1094814-87-5.
The molecular formula of [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate is C20H23ClO10.
The molecular weight of [3,4,5-Tris(acetyloxy)-6-(2-chlorophenoxy)oxan-2-yl]methyl acetate is 458.09796 g/mol.
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