Physicochemical Properties
| Molecular Formula | C84H152N4O6 |
| Molecular Weight | 1314.13 |
| Exact Mass | 1313.171 |
| CAS # | 1883431-67-1 |
| PubChem CID | 132594335 |
| Appearance | Colorless to light yellow ointment |
| LogP | 25.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 70 |
| Heavy Atom Count | 94 |
| Complexity | 1670 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCC(O)CN(CC(O)CCCCCC/C=C\C/C=C\CCCCC)CCCCC1NC(=O)C(NC1=O)CCCCN(CC(O)CCCCCC/C=C\C/C=C\CCCCC)CC(O)CCCCCC/C=C\C/C=C\CCCCC |
| InChi Key | UMSCHHWDFWCONK-RGLFHLPNSA-N |
| InChi Code | InChI=1S/C84H152N4O6/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-77(89)73-87(74-78(90)66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)71-63-61-69-81-83(93)86-82(84(94)85-81)70-62-64-72-88(75-79(91)67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-80(92)68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h21-28,33-40,77-82,89-92H,5-20,29-32,41-76H2,1-4H3,(H,85,94)(H,86,93)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36- |
| Chemical Name | 3,6-bis[4-[bis[(9Z,12Z)-2-hydroxyoctadeca-9,12-dienyl]amino]butyl]piperazine-2,5-dione |
| 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 (e.g. under nitrogen), 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
| References |
[1]. Bioinspired Alkenyl Amino Alcohol Ionizable Lipid Materials for Highly Potent In Vivo mRNA Delivery. Adv Mater. 2016;28(15):2939-2943. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~76.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.90 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 | 0.7610 mL | 3.8048 mL | 7.6096 mL | |
| 5 mM | 0.1522 mL | 0.7610 mL | 1.5219 mL | |
| 10 mM | 0.0761 mL | 0.3805 mL | 0.7610 mL |