Physicochemical Properties
| Molecular Formula | C10H6O5 |
| Molecular Weight | 206.151643276215 |
| Exact Mass | 206.022 |
| CAS # | 56437-16-2 |
| PubChem CID | 11481147 |
| Appearance | White to off-white solid powder |
| LogP | 1.196 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 15 |
| Complexity | 333 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=C(C=C2C=C(C(=O)O)C(=O)OC2=C1)O |
| InChi Key | SLPOZBYDRWPSBE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C10H6O5/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4,11H,(H,12,13) |
| Chemical Name | 6-hydroxy-2-oxochromene-3-carboxylic 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
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~485.08 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.13 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8508 mL | 24.2542 mL | 48.5084 mL | |
| 5 mM | 0.9702 mL | 4.8508 mL | 9.7017 mL | |
| 10 mM | 0.4851 mL | 2.4254 mL | 4.8508 mL |