Physicochemical Properties
| Molecular Formula | C23H21F2N3O2 |
| Molecular Weight | 409.43 |
| Exact Mass | 409.16 |
| CAS # | 2728373-94-0 |
| PubChem CID | 145925691 |
| Appearance | White to off-white solid powder |
| LogP | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 30 |
| Complexity | 543 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | OJLMGGCCARSXJV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H21F2N3O2/c1-14-7-16(3-5-20(14)24)10-27-22(29)18-9-19(13-26-12-18)23(30)28-11-17-4-6-21(25)15(2)8-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29)(H,28,30) |
| Chemical Name | 3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide |
| 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
Solubility Data
| Solubility (In Vitro) | DMSO: ≥ 270 mg/mL (659.45 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (5.50 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 22.5 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 | 2.4424 mL | 12.2121 mL | 24.4242 mL | |
| 5 mM | 0.4885 mL | 2.4424 mL | 4.8848 mL | |
| 10 mM | 0.2442 mL | 1.2212 mL | 2.4424 mL |