TL;DR: 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid (CAS 140427-97-0) is a chemical compound with molecular formula C21H22F12O3 and molecular weight 550.13776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)tetradeca-10,12-diynoic acid
Also Known As: 14-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid, 14-((2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy)tetradeca-10,12-diynoic acid, 14-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)tetradeca-10,12-diynoic acid
| Molecular Formula | C21H22F12O3 |
| Molecular Weight | 550.13776 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 550.13776 Da |
| Heavy Atoms | 36 |
| Complexity | 843.0 |
| SMILES | C(CCCCC(=O)O)CCCC#CC#CCOCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | NCTYZXKPSROXFE-UHFFFAOYSA-N |
The XLogP value of 7.8 indicates that 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid is 140427-97-0.
The molecular formula of 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid is C21H22F12O3.
The molecular weight of 14-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)oxy]-10,12-tetradecadiynoic acid is 550.13776 g/mol.
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