Physicochemical Properties
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.45 |
| Exact Mass | 430.152 |
| CAS # | 150322-05-7 |
| PubChem CID | 4612276 |
| Appearance | Brown to breen solid powder |
| LogP | 3.727 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 32 |
| Complexity | 723 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DCVXPZDNLDPUES-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C25H22N2O5/c1-26(2)15-6-9-19-21(12-15)31-22-13-16(27(3)4)7-10-20(22)25(19)18-8-5-14(23(28)29)11-17(18)24(30)32-25/h5-13H,1-4H3,(H,28,29) |
| Chemical Name | 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-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
| References |
[1]. Steric-Free Bioorthogonal Labeling of Acetylation Substrates Based on a Fluorine-Thiol Displacement Reaction. J Am Chem Soc. 2021 Jan 27;143(3):1341-1347. [2]. Rhodamine-Hoechst positional isomers for highly efficient staining of heterochromatin. Chem Sci. 2018 Dec 12;10(7):1962-1970. [3]. A tetramethyl rhodamine (Tamra) phosphoramidite facilitates solid-phase-supported synthesis of 5'-Tamra DNA. J Org Chem. 2000 Dec 29;65(26):9033-8. |
Solubility Data
| Solubility (In Vitro) | DMSO: 12.5 mg/mL (29.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.90 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 12.5 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: ≥ 1.25 mg/mL (2.90 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 12.5 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 | 2.3232 mL | 11.6158 mL | 23.2315 mL | |
| 5 mM | 0.4646 mL | 2.3232 mL | 4.6463 mL | |
| 10 mM | 0.2323 mL | 1.1616 mL | 2.3232 mL |