Physicochemical Properties
| Molecular Formula | C6H5F3N2 |
| Molecular Weight | 162.112511396408 |
| Exact Mass | 588.438 |
| CAS # | 1309573-60-1 |
| Related CAS # | 1309573-60-1 |
| PubChem CID | 149533007 |
| Appearance | Colorless to light yellow liquid |
| Density | 0.981 g/mL at 25 °C |
| LogP | 10.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 21 |
| Heavy Atom Count | 42 |
| Complexity | 783 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC(C1C=C(C=CN=1)N)(F)F |
| InChi Key | ZMZHTFWPAUPDMZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C36H60O6/c1-25(2)13-10-14-26(3)15-11-16-27(4)17-12-21-36(8)22-20-31-30(7)34(28(5)29(6)35(31)42-36)41-33(38)19-18-32(37)40-24-23-39-9/h25-27H,10-24H2,1-9H3 |
| Chemical Name | 1-O-(2-methoxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate |
| 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]. TPGS-750-M: a second-generation amphiphile for metal-catalyzed cross-couplings in water at room temperature. J Org Chem. 2011 Jun 3;76(11):4379-91. |
Solubility Data
| Solubility (In Vitro) | H2O : ≥ 50 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (Infinity mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with heating and sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1687 mL | 30.8433 mL | 61.6865 mL | |
| 5 mM | 1.2337 mL | 6.1687 mL | 12.3373 mL | |
| 10 mM | 0.6169 mL | 3.0843 mL | 6.1687 mL |