4-((4-Chlorophenyl)thio)-2-phenyl-N-(3-(trifluoromethyl)phenyl)pyrimidine-5-carboxamide CAS 400076-30-4
| CAS No. | 400076-30-4 |
| Molecular Formula | C24H15ClF3N3OS |
| Molecular Weight | 485.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-((4-Chlorophenyl)thio)-2-phenyl-N-(3-(trifluoromethyl)phenyl)pyrimidine-5-carboxamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-((4-Chlorophenyl)thio)-2-phenyl-N-(3-(trifluoromethyl)phenyl)pyrimidine-5-carboxamide (CAS 400076-30-4) is a high-purity analytical reference standard with the molecular formula C24H15ClF3N3OS and a molecular weight of 485.91 g/mol.
Structurally, 4-((4-Chlorophenyl)thio)-2-phenyl-N-(3-(trifluoromethyl)phenyl)pyrimidine-5-carboxamide (C24H15ClF3N3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 485.91 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C24H15ClF3N3OS |
| Molecular Weight | 485.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 3-((4-Chlorophenyl)sulfonyl)-N-(4-ethoxyphenyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine (CAS 892738-55-5)
- N-(4-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetamide (CAS 334497-74-4)
- Ethyl 2-(4-(4-chlorophenyl)piperazin-1-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate (CAS 400081-89-2)
- 2-((5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-iodo-2-methylphenyl)acetamide (CAS 332904-32-2)
- 1-(4-Chlorophenyl)-3-{3-[(4-chlorophenyl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonyl}urea (CAS 338759-10-7)
- 3-(4-Chlorophenyl)-1-(2-nitro-4-(trifluoromethyl)phenyl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine (CAS 338770-83-5)
- N-(((4-chlorophenyl)carbamoyl)oxy)-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CAS 861208-34-6)
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Recommended Standards
- 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6,7-dimethoxy-4H-3,1-benzothiazin-4-imine (CAS 338959-70-9)
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- (S)-2-Ethynylpyrrolidine-1-sulfonamide (CAS 1108658-67-8)
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- 2,2,3,3,3-Pentafluoropropyl acrylate (CAS 356-86-5)
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- (E)-3-(3-fluorophenyl)prop-2-enoic acid (CAS 458-46-8)
- n-(2-Methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 1073353-60-2)
- 4-Amino-2-bromo-5-methylthiazole Hydrobromide (CAS 70346-22-4)
- Gefitinib Impurity 35 HCl (CAS CATO-C4X-111735)
- 2-(1-((Tert-butoxycarbonyl)(methyl)amino)cyclohexyl)acetic acid (CAS 1489679-34-6)
- Tau Peptide (294-305) (human) trifluoroacetate salt (CAS 1428135-29-8)
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