Physicochemical Properties
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.14544 |
| Exact Mass | 162.042 |
| CAS # | 86-96-4 |
| PubChem CID | 64048 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 491.9ºC at 760 mmHg |
| Melting Point | 300 °C(lit.) |
| Index of Refraction | 1.587 |
| LogP | 0.55 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 12 |
| Complexity | 227 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C1NC2C(=CC=CC=2)C(=O)N1 |
| InChi Key | SDQJTWBNWQABLE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
| Chemical Name | 1H-quinazoline-2,4-dione |
| 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
| Additional Infomation |
1H-Quinazoline-2,4-dione is a member of quinazolines. Benzoyleneurea has been reported in Streptomyces with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~43.33 mg/mL (~267.22 mM) H2O : < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (20.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 32.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1671 mL | 30.8356 mL | 61.6713 mL | |
| 5 mM | 1.2334 mL | 6.1671 mL | 12.3343 mL | |
| 10 mM | 0.6167 mL | 3.0836 mL | 6.1671 mL |