TL;DR: Dfftp-daunomycinone (CAS 141291-21-6) is a chemical compound with molecular formula C32H34F2O12 and molecular weight 648.20184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-acetyl-7-[3-fluoro-5-(3-fluorooxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Dfftp-daunomycinone, 7-O-(2,6-Dideoxy-2-fluoro-4-O-(3-fluorotetrahydropyran-2-yl)talopyranosyl)daunomycinone, 9-acetyl-7-[3-fluoro-5-(3-fluorooxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 9-Acetyl-7-[3-Fluoro-5-(3-Fluorooxan-2-ylOxy-4-Hydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-2-fluoro-4-O-(3-fluorooxan-2-yl)hexopyranoside
| Molecular Formula | C32H34F2O12 |
| Molecular Weight | 648.20184 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 648.20184 Da |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
| SMILES | CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)F)O)OC6C(CCCO6)F |
| InChIKey | KBRJSDCEGMYOIM-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Dfftp-daunomycinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting Dfftp-daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dfftp-daunomycinone has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dfftp-daunomycinone is 141291-21-6.
The molecular formula of Dfftp-daunomycinone is C32H34F2O12.
The molecular weight of Dfftp-daunomycinone is 648.20184 g/mol.
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