Physicochemical Properties
| Molecular Formula | C14H15F5O2 |
| Molecular Weight | 310.264 |
| Exact Mass | 310.099 |
| CAS # | 1071001-50-7 |
| PubChem CID | 25060072 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 330.3±42.0 °C at 760 mmHg |
| Flash Point | 148.5±22.8 °C |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.438 |
| LogP | 5.32 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 21 |
| Complexity | 333 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC(C(F)(F)F)(C(CCCCC1C=CC(=CC=1)OC)=O)F |
| InChi Key | CICDFDPOGZQTQB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H15F5O2/c1-21-11-8-6-10(7-9-11)4-2-3-5-12(20)13(15,16)14(17,18)19/h6-9H,2-5H2,1H3 |
| Chemical Name | 1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)heptan-3-one |
| Synonyms | GK 187; GK-187; GK187 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. New potent and selective polyfluoroalkyl ketone inhibitors of GVIA calcium-independent phospholipase A2. Bioorg Med Chem. 2013 Sep 15;21(18):5823-9. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~322.31 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2231 mL | 16.1155 mL | 32.2310 mL | |
| 5 mM | 0.6446 mL | 3.2231 mL | 6.4462 mL | |
| 10 mM | 0.3223 mL | 1.6116 mL | 3.2231 mL |