Physicochemical Properties
| Molecular Formula | C30H30N2O6 |
| Molecular Weight | 514.57 |
| Exact Mass | 514.21 |
| CAS # | 878797-01-4 |
| PubChem CID | 75535003 |
| Appearance | White to off-white solid powder |
| Density | 1.286±0.06 g/cm3(Predicted) |
| Boiling Point | 765.5±60.0 °C(Predicted) |
| LogP | 4.513 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 38 |
| Complexity | 849 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C(C1C2=CC=CC=C2C2C=CC=CC1=2)OC(=O)N[C@@H](CC1C=CC=CC=1)C(N1C(C)(C)OC[C@H]1C(=O)O)=O |
| 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 and light. |
| 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: 250 mg/mL (485.84 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.04 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 20.8 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: ≥ 2.08 mg/mL (4.04 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 20.8 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 | 1.9434 mL | 9.7169 mL | 19.4337 mL | |
| 5 mM | 0.3887 mL | 1.9434 mL | 3.8867 mL | |
| 10 mM | 0.1943 mL | 0.9717 mL | 1.9434 mL |