Physicochemical Properties
| Molecular Formula | C19H16F3NO2 |
| Molecular Weight | 347.33 |
| Exact Mass | 347.113 |
| CAS # | 1314008-27-9 |
| PubChem CID | 68289416 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 464 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1(CO)=C(F)C=C(C)C(C)=C1OC1C=C2C(=NC=1C)C(F)=C(F)C=C2 |
| InChi Key | DSXOWZNZGWXWMX-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H16F3NO2/c1-10-15(9-11-7-8-13(21)17(22)18(11)23-10)25-14-6-4-5-12(20)16(14)19(2,3)24/h4-9,24H,1-3H3 |
| Chemical Name | 2-[2-(7,8-difluoro-2-methylquinolin-3-yl)oxy-6-fluorophenyl]propan-2-ol |
| 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].Hirayama K. Curative effects of fungicides against Venturia inaequalis causing apple scab[J]. Journal of General Plant Pathology, 2022, 88(4): 264-269. |
| Additional Infomation | Ipflufenoquin is a member of the class of quinolines that is quinoline substituted by a methyl group, 3-fluoro-2-(2-hydroxypropan-2-yl)phenoxy group, fluoro group and fluoro group at positions 2, 3, 7 and 8, respectively. It is a fungicide being developed by Nippon-Soda Co. Ltd (Japan) which has stable efficacy against a wide range of plant diseases, such as gray mold, scab and rice blast. It has a role as a fungicide. It is a member of quinolines, an organofluorine compound, an aromatic ether and a member of benzyl alcohols. |
Solubility Data
| Solubility (In Vitro) | DMSO :~100 mg/mL (~287.91 mM; with sonication (<80°C)) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (14.40 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 50.0 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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: 5 mg/mL (14.40 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 50.0 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8791 mL | 14.3955 mL | 28.7911 mL | |
| 5 mM | 0.5758 mL | 2.8791 mL | 5.7582 mL | |
| 10 mM | 0.2879 mL | 1.4396 mL | 2.8791 mL |