Physicochemical Properties
| Molecular Formula | C38H42N2O13 |
| Molecular Weight | 734.745691776276 |
| Exact Mass | 734.268 |
| CAS # | 1170856-93-5 |
| Related CAS # | Calcein;1461-15-0 |
| PubChem CID | 91810997 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 825.4±65.0 °C at 760 mmHg |
| Flash Point | 453.0±34.3 °C |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.638 |
| LogP | 6.56 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 53 |
| Complexity | 1180 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | AWKMLDYACNCHOZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C38H42N2O13/c1-5-48-31(43)19-39(20-32(44)49-6-2)17-24-29(41)15-13-27-35(24)52-36-25(18-40(21-33(45)50-7-3)22-34(46)51-8-4)30(42)16-14-28(36)38(27)26-12-10-9-11-23(26)37(47)53-38/h9-16,41-42H,5-8,17-22H2,1-4H3 |
| Chemical Name | ethyl 2-[[5'-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate |
| Synonyms | Calcein tetraethyl ester; 1170856-93-5; Calcein (tetraethyl ester); Fluorexon tetraethyl ester; tetraethyl 2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetate; ethyl 2-[[5'-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate; Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(2-ethoxy-2-oxoethyl)-, 1,1'-diethyl ester; Tetraethyl Fluorescein Bis(methylene)bis(azanetriyl)tetraacetate; |
| 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
| Targets | Fluorescent Dye; Emission (Em) = 515; Excitation (Ex) = 419 |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~25 mg/mL (~34.03 mM) H2O : ~0.67 mg/mL (~0.91 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.40 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 | 1.3610 mL | 6.8050 mL | 13.6101 mL | |
| 5 mM | 0.2722 mL | 1.3610 mL | 2.7220 mL | |
| 10 mM | 0.1361 mL | 0.6805 mL | 1.3610 mL |