 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C15H21CL2FN2O3 |
| Molecular Weight | 367.24 |
| Exact Mass | 366.091 |
| CAS # | 81406-37-3 |
| PubChem CID | 54745 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 431.9±40.0 °C at 760 mmHg |
| Melting Point | 56-57ºC |
| Flash Point | 215.0±27.3 °C |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.523 |
| LogP | 6.77 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 23 |
| Complexity | 366 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(COC1C(Cl)=C(N)C(Cl)=C(F)N=1)OC(CCCCCC)C |
| InChi Key | OLZQTUCTGLHFTQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20) |
| Chemical Name | octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate |
| 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]. Wang L, et, al. Dissipation and residues of fluroxypyr-meptyl in rice and environment. Bull Environ Contam Toxicol. 2011 Apr;86(4):449-53. [2]. Hewitt PG, et, al. Metabolism of fluroxypyr, fluroxypyr methyl ester, and the herbicide fluroxypyr methylheptyl ester. II: in rat skin homogenates. Drug Metab Dispos. 2000 Jul;28(7):755-9. |
| Additional Infomation |
Fluroxypyr-meptyl is an esterified form of the herbicide fluroxypyr (it is a pro-herbicide, similar to a pro-drug). After predominantly foliar uptake, the ester is hydrolyzed to the parent acid, which is the herbicidally active form. Fluroxypyr is a pyridine-based herbicide used to control established broadleaf weeds and woody brush. It is registered for use on corn, wheat, barley, oats, sorghum, forage, hay, onions, fallow cropland, industrial sites, and rights-of-way, as well as home lawns and recreational sites such as golf courses, parks, and sports fields See also: Fluroxypyr (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (272.30 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.81 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.0 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. Solubility in Formulation 2: 2.5 mg/mL (6.81 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 ultrasonication. 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.81 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 | 2.7230 mL | 13.6151 mL | 27.2301 mL | |
| 5 mM | 0.5446 mL | 2.7230 mL | 5.4460 mL | |
| 10 mM | 0.2723 mL | 1.3615 mL | 2.7230 mL |