3-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)benzoic acid CAS 923291-83-2
| CAS No. | 923291-83-2 |
| Molecular Formula | C18H12FN3O3S |
| Molecular Weight | 369.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)benzoic acid is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)benzoic acid (CAS 923291-83-2), a certified reference material (molecular formula C18H12FN3O3S, MW 369.37 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 3-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 369.37 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H12FN3O3S |
| Molecular Weight | 369.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- 4-(4-(2-Fluorophenyl)piperazin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CAS 339105-20-3)
- 4-(4-(4-Fluorophenyl)piperazin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CAS 339105-15-6)
- (S)-8-(2-fluorophenyl)-9a-phenyl-9,9a-dihydropyrido[1,2-a]indole-6,10-dione (CAS 2368851-65-2)
- (S)-8-(3-fluorophenyl)-9a-phenyl-9,9a-dihydropyrido[1,2-a]indole-6,10-dione (CAS 2368851-44-7)
- (S)-8-(4-fluorophenyl)-9a-phenyl-9,9a-dihydropyrido[1,2-a]indole-6,10-dione (CAS 2368851-24-3)
- N-(4-fluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide (CAS 321433-15-2)
- 1-(4-(3-(3-Fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)butan-1-one (CAS 923513-24-0)
- 1,1-Bis(4-fluorophenyl)-2-((2-methoxybenzyl)amino)ethan-1-ol (CAS 338771-02-1)
Recommended Standards
- 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanedioic acid (CAS 247217-28-3)
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- 4-(2-(4-(2-Methylbenzamido)benzoyl)hydrazinyl)-4-oxobutanoic acid (CAS 356767-93-6)
- 2,2-Bis(5-fluoropyridin-2-yl)acetonitrile (CAS 1841081-69-3)
- Ethyl 3-(diethylamino)-2-methylpropanoate (CAS 77202-74-5)
- 2-Ethynyl-5-methylpyridin-4-amine (CAS 1824298-28-3)
- 3-Ethyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine (CAS 955584-79-9)
- 2-(5-Chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid (CAS 95209-81-7)
- 4857-06-1 1H-Benzimidazole, 2-chloro- 2-Chloro-1H-benzimidazole Benzimidazole, 2-chloro- 2-Chlorobenzimidazole EINECS 225-453-3 NSC 111358 (CAS 4857-06-1)
- 6-Bromo-8-fluoro-1,2,3,4-tetrahydroquinoline (CAS 954267-76-6)
- 3-Methoxy-N-(1-(pyridin-2-yl)ethyl)propan-1-amine (CAS 626214-26-4)
- 2,4,5-T (CAS 93-76-5)
- (Tyr9)-Cholecystokinin Octapeptide (sulfated) (H-9770.0005) (CAS 96607-61-3)
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