8',8',8'-Trifluoroabscisic acid
TL;DR: 8',8',8'-Trifluoroabscisic acid (CAS 164457-19-6) is a chemical compound with molecular formula C15H17F3O4 and molecular weight 318.10788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E)-5-[(1R,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(trifluoromethyl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Also Known As: 8',8',8'-Trifluoroabscisic acid, 8',8',8'-Trifluoro-aba, (2E,4E)-5-[(1R,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(trifluoromethyl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Technical Specifications
| Molecular Formula | C15H17F3O4 |
| Molecular Weight | 318.10788 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.10788 Da |
| Heavy Atoms | 22 |
| Complexity | 586.0 |
| SMILES | CC1=CC(=O)C[C@@]([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C(F)(F)F |
| InChIKey | YTKWREVWVRILSP-WAAKHMAVSA-N |
Chemical Property Profile of 8',8',8'-Trifluoroabscisic acid
Property Insights of 8',8',8'-Trifluoroabscisic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8',8',8'-Trifluoroabscisic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8',8',8'-Trifluoroabscisic acid. Following Lipinski's Rule of Five, 8',8',8'-Trifluoroabscisic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8',8',8'-Trifluoroabscisic acid?
The CAS number of 8',8',8'-Trifluoroabscisic acid is 164457-19-6.
What is the molecular formula of 8',8',8'-Trifluoroabscisic acid?
The molecular formula of 8',8',8'-Trifluoroabscisic acid is C15H17F3O4.
What is the molecular weight of 8',8',8'-Trifluoroabscisic acid?
The molecular weight of 8',8',8'-Trifluoroabscisic acid is 318.10788 g/mol.
Where can I buy 8',8',8'-Trifluoroabscisic acid?
You can request a quote for 8',8',8'-Trifluoroabscisic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8',8',8'-Trifluoroabscisic acid?
Yes, CoreyChem provides custom synthesis services for 8',8',8'-Trifluoroabscisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.