Physicochemical Properties
| Molecular Formula | C27H37CLN2 |
| Molecular Weight | 425.05 |
| Exact Mass | 424.264 |
| CAS # | 250285-32-6 |
| PubChem CID | 2734913 |
| Appearance | Off-white to pink solid powder |
| Melting Point | 278 °C (dec.)(lit.) |
| LogP | 4.251 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 30 |
| Complexity | 421 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [Cl-].[N+]1(C=CN(C=1)C1C(=CC=CC=1C(C)C)C(C)C)C1C(=CC=CC=1C(C)C)C(C)C |
| InChi Key | AVJBQMXODCVJCJ-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1 |
| Chemical Name | 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). 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
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (235.27 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.88 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 25.0 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: ≥ 2.5 mg/mL (5.88 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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 | 2.3527 mL | 11.7633 mL | 23.5266 mL | |
| 5 mM | 0.4705 mL | 2.3527 mL | 4.7053 mL | |
| 10 mM | 0.2353 mL | 1.1763 mL | 2.3527 mL |