Physicochemical Properties
| Molecular Formula | C42H80NO4+.CH3O4S- |
| Molecular Weight | 774.18602 |
| Exact Mass | 757.589 |
| CAS # | 144189-73-1 |
| PubChem CID | 16218742 |
| Appearance | White to off-white solid powder |
| LogP | 12.81 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 37 |
| Heavy Atom Count | 53 |
| Complexity | 845 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-] |
| InChi Key | RSMRWWHFJMENJH-LQDDAWAPSA-M |
| InChi Code | InChI=1S/C42H80NO4.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h20-23,40H,6-19,24-39H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1/b22-20-,23-21-; |
| Chemical Name | 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;methyl sulfate |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~16.67 mg/mL (~21.53 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (2.16 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 16.7 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2917 mL | 6.4584 mL | 12.9167 mL | |
| 5 mM | 0.2583 mL | 1.2917 mL | 2.5833 mL | |
| 10 mM | 0.1292 mL | 0.6458 mL | 1.2917 mL |