Physicochemical Properties
| Molecular Formula | C16H13CLN2O2 |
| Molecular Weight | 300.74 |
| Exact Mass | 300.066 |
| CAS # | 1187568-17-7 |
| PubChem CID | 44240655 |
| Appearance | Off-white to yellow solid powder |
| LogP | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 21 |
| Complexity | 432 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1C2=C(C=CC(OC)=C2)C(=O)N(C)C=1C1=CC=C(Cl)C=C1 |
| InChi Key | XNYBZAGNXXIAKK-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H13ClN2O2/c1-19-15(10-3-5-11(17)6-4-10)18-14-9-12(21-2)7-8-13(14)16(19)20/h3-9H,1-2H3 |
| Chemical Name | 2-(4-chlorophenyl)-7-methoxy-3-methylquinazolin-4-one |
| 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]. Computational investigation of the interaction mechanism between the estrogen related receptor α and its agonists. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~83.13 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.31 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 25.0 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 | 3.3251 mL | 16.6257 mL | 33.2513 mL | |
| 5 mM | 0.6650 mL | 3.3251 mL | 6.6503 mL | |
| 10 mM | 0.3325 mL | 1.6626 mL | 3.3251 mL |