Physicochemical Properties
| Molecular Formula | C20H13NO5 |
| Molecular Weight | 347.3209 |
| Exact Mass | 347.079 |
| CAS # | 51649-83-3 |
| Related CAS # | 5-Aminofluorescein;3326-34-9 |
| PubChem CID | 103924 |
| Appearance | Yellow to orange solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 706.7±60.0 °C at 760 mmHg |
| Melting Point | 285 °C (dec.)(lit.) |
| Flash Point | 381.2±32.9 °C |
| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
| Index of Refraction | 1.820 |
| LogP | 2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 26 |
| Complexity | 557 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | YOAWSYSKQHLFPM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2 |
| Chemical Name | 5-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~287.92 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.99 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 (5.99 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 20.8 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 | 2.8792 mL | 14.3959 mL | 28.7919 mL | |
| 5 mM | 0.5758 mL | 2.8792 mL | 5.7584 mL | |
| 10 mM | 0.2879 mL | 1.4396 mL | 2.8792 mL |