TL;DR: F0798-0845 (CAS 1094864-24-0) is a chemical compound with molecular formula C19H22BrNO11 and molecular weight 519.0376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 5-bromofuran-2-carboxylate
Also Known As: F0798-0845, [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 5-bromofuran-2-carboxylate, 3,4,6-tri-O-acetyl-2-(acetylamino)-1-O-[(5-bromofuran-2-yl)carbonyl]-2-deoxyhexopyranose, 4,5-BIS(ACETYLOXY)-6-[(ACETYLOXY)METHYL]-3-ACETAMIDOOXAN-2-YL 5-BROMOFURAN-2-CARBOXYLATE, 4,5-diacetoxy-6-(acetoxymethyl)-3-acetylaminotetrahydro-2H-pyran-2-yl 5-bromo-2-furoate
| Molecular Formula | C19H22BrNO11 |
| Molecular Weight | 519.0376 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 519.0376 Da |
| Heavy Atoms | 32 |
| Complexity | 745.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC(=O)C2=CC=C(O2)Br)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | KMDDASWMWCXTDD-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0798-0845. The TPSA of 157.0 Ų indicates high polarity, suggesting F0798-0845 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0798-0845 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F0798-0845 is 1094864-24-0.
The molecular formula of F0798-0845 is C19H22BrNO11.
The molecular weight of F0798-0845 is 519.0376 g/mol.
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