Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate (CHEM272986)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 16:54:40 UTC | ||||||||
| Update Date | 2026-08-26 16:54:40 UTC | ||||||||
| Accession Number | CHEM272986 | ||||||||
| Identification | |||||||||
| Common Name | Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate belongs to the 2-phenoxypropionic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the formula C50H50F6N4O12. With an average molecular weight of 1,013 g/mol, Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H50F6N4O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1012.333 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)OC(C)C(=O)OC.CCC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)OC(C)C(=O)OC | ||||||||
| InChI Identifier | InChI=1S/2C25H25F3N2O6/c2*1-5-16-6-7-17(20(12-16)36-15(2)23(32)34-4)14-35-19-10-8-18(9-11-19)30-22(31)13-21(25(26,27)28)29(3)24(30)33/h2*6-13,15H,5,14H2,1-4H3 | ||||||||
| InChI Key | SRJPAKLXHFVZTH-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
