TL;DR: [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate (CAS 1094811-86-5) is a chemical compound with molecular formula C20H23Cl2NO9 and molecular weight 491.07498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-acetamido-3,4-diacetyloxy-6-(2,4-dichlorophenoxy)oxan-2-yl]methyl acetate
Also Known As: [3,4-bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate|SR-01000908802-1|[5-acetamido-3,4-diacetyloxy-6-(2,4-dichlorophenoxy)oxan-2-yl]methyl acetate|F1507-0127|[5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-(2,4-dichlorophenoxy)oxan-4-yl] Acetate|2,4-dichlorophenyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside|3-(acetylamino)-5-acetyloxy-6-(acetyloxymethyl)-2-(2,4-dichlorophenoxy)-2H-3,4 ,5,6-tetrahydropyran-4-yl acetate|5-acetamido-2-(acetoxymethyl)-6-(2,4-dichlorophenoxy)tetrahydro-2H-pyran-3,4-diyl diacetate|STK865740|ST50055692|SR-01000908802|Z56177537
| Molecular Formula | C20H23Cl2NO9 |
| Molecular Weight | 491.07498 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.07498 Da |
| Heavy Atoms | 32 |
| Complexity | 707.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2=C(C=C(C=C2)Cl)Cl)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XPAAADFOPLSXHD-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate. Following Lipinski's Rule of Five, [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate has 1 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 [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate is 1094811-86-5.
The molecular formula of [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate is C20H23Cl2NO9.
The molecular weight of [3,4-Bis(acetyloxy)-6-(2,4-dichlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate is 491.07498 g/mol.
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