Physicochemical Properties
| Molecular Formula | C19H34O5 |
| Molecular Weight | 342.47 |
| Exact Mass | 342.24 |
| CAS # | 413624-71-2 |
| PubChem CID | 11336822 |
| Appearance | Typically exists as solid at room temperature |
| Melting Point | 82 - 83 °C |
| LogP | 4.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 24 |
| Complexity | 386 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(O)=O)C(O)=O |
| InChi Key | NHVXRVOYVVPVDU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24) |
| Chemical Name | 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid |
| 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
| References | [1]. Jean-Louis H. Dasseux, et al. Ketone compounds and compositions for cholesterol management and related uses. WO2002030860A2. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (292.00 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.30 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 (7.30 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.30 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 | 2.9200 mL | 14.5998 mL | 29.1996 mL | |
| 5 mM | 0.5840 mL | 2.9200 mL | 5.8399 mL | |
| 10 mM | 0.2920 mL | 1.4600 mL | 2.9200 mL |