Physicochemical Properties
| Molecular Formula | C51H64N4O4S |
| Molecular Weight | 829.1433 |
| Exact Mass | 828.464 |
| CAS # | 1686147-55-6 |
| PubChem CID | 154728428 |
| Appearance | Green to dark green solid powder |
| LogP | 7.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 60 |
| Complexity | 1660 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(CCCCN1C2C=CC3=CC=CC=C3C=2C(C)(C)/C/1=C/C=C/C=C/C=C/C1C(C)(C)C2C3=CC=CC=C3C=CC=2[N+]=1CCCCCC(NCCCCCCN)=O)(=O)(=O)[O-] |
| InChi Key | WKCQFHIAPMFCGN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C51H64N4O4S/c1-50(2)45(54(43-32-30-39-23-14-16-25-41(39)48(43)50)36-20-10-13-29-47(56)53-35-19-9-8-18-34-52)27-11-6-5-7-12-28-46-51(3,4)49-42-26-17-15-24-40(42)31-33-44(49)55(46)37-21-22-38-60(57,58)59/h5-7,11-12,14-17,23-28,30-33H,8-10,13,18-22,29,34-38,52H2,1-4H3,(H-,53,56,57,58,59) |
| Chemical Name | 4-[(2Z)-2-[(2E,4E,6E)-7-[3-[6-(6-aminohexylamino)-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate |
| 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
| ln Vitro | ICG is a tricarbocyanine dye[1]. |
| References |
[1]. Indocyanine green modified silica shells for colon tumor marking. Appl Surf Sci. 2020;499:143885. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 31.25 mg/mL (37.69 mM) H2O: 5 mg/mL (6.03 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.51 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2061 mL | 6.0303 mL | 12.0607 mL | |
| 5 mM | 0.2412 mL | 1.2061 mL | 2.4121 mL | |
| 10 mM | 0.1206 mL | 0.6030 mL | 1.2061 mL |