Physicochemical Properties
| Molecular Formula | C16H14N2S |
| Molecular Weight | 266.360762119293 |
| Exact Mass | 266.087 |
| CAS # | 68729-05-5 |
| PubChem CID | 3768902 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 462.7±24.0 °C at 760 mmHg |
| Flash Point | 233.6±22.9 °C |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.660 |
| LogP | 4.13 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 19 |
| Complexity | 270 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XYDVHKCVOMGRSY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) |
| Chemical Name | 4-(4-benzylphenyl)-1,3-thiazol-2-amine |
| 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]. Synthesis, docking, cytotoxicity, and LTA4H inhibitory activity of new gingerol derivatives as potential colorectal cancer therapy. Bioorg Med Chem. 2017;25(3):1277-1285. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~938.58 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (7.81 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 | 3.7543 mL | 18.7716 mL | 37.5432 mL | |
| 5 mM | 0.7509 mL | 3.7543 mL | 7.5086 mL | |
| 10 mM | 0.3754 mL | 1.8772 mL | 3.7543 mL |