![3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione structure, CAS 830346-50-4](/structures/180000/172551_2_830346_50_4.png)
CAS Number830346-50-4
SynonymsExact Mass 545.17400; PSA 79.25000; LogP 5.73960; InChIKey AEOBYHAZFRJFPZ-QFIPXVFZSA-N; Bioassay; View more; Name: Dissociation rate assessed as half life; Source: ChEMBL; External Id: CHEMBL1008933; Name: Inhibition of CYP3A4; Target: Cytochrome P450 3A4; External Id: CHEMBL1008932; Name: Binding affinity at human GnRH receptor; Target: Gonadotropin-releasing hormone receptor; External Id: CHEMBL956658; Target: Rattus norvegicus; External Id: CHEMBL1008945; External Id: CHEMBL1008944; External Id: CHEMBL1008931; Name: Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expr...; External Id: CHEMBL1008930; Target: Caco-2; External Id: CHEMBL1008937; Name: Lipophilicity, log D of the compound; External Id: CHEMBL1008939; Name: Ratio of permeability from apical t
Molecular FormulaC28H24F5N3O3
Molecular Weight545.50000
Purity98%%
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 830346-50-4 |
| Catalog No. | 2A-1172304 |
| Chinese Name | 3-[(2R)-2-氨基-2-苯基乙基]-5-(2-氟-3-甲氧基苯基)-1-[[2-氟-6-(三氟甲基)苯基]甲基]-6-甲基-2,4(1H,3H)-嘧啶二酮 |
| Synonyms | Exact Mass 545.17400; PSA 79.25000; LogP 5.73960; InChIKey AEOBYHAZFRJFPZ-QFIPXVFZSA-N; Bioassay; View more; Name: Dissociation rate assessed as half life; Source: ChEMBL; External Id: CHEMBL1008933; Name: Inhibition of CYP3A4; Target: Cytochrome P450 3A4; External Id: CHEMBL1008932; Name: Binding affinity at human GnRH receptor; Target: Gonadotropin-releasing hormone receptor; External Id: CHEMBL956658; Target: Rattus norvegicus; External Id: CHEMBL1008945; External Id: CHEMBL1008944; External Id: CHEMBL1008931; Name: Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expr...; External Id: CHEMBL1008930; Target: Caco-2; External Id: CHEMBL1008937; Name: Lipophilicity, log D of the compound; External Id: CHEMBL1008939; Name: Ratio of permeability from apical t |
| Molecular Formula | C28H24F5N3O3 |
| Molecular Weight | 545.50000 |
| Purity | 98% |
| PubChem ID | 16518011 |
| SMILES | COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(CC(N)c3ccccc3)c2=O)c1F |
| InChI | InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1 |
| InChI Key | AEOBYHAZFRJFPZ-QFIPXVFZSA-N |
| Transport Info | Product name: 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione |
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