2-(2-(4-Bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid CAS 620590-18-3
| CAS No. | 620590-18-3 |
| Molecular Formula | C16H15BrN2O2S |
| Molecular Weight | 379.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-(2-(4-Bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid (C16H15BrN2O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 2-(2-(4-Bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid (CAS 620590-18-3), a certified reference material (molecular formula C16H15BrN2O2S, MW 379.27 g/mol) for analytical method development and quality control.
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.
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 | C16H15BrN2O2S |
| Molecular Weight | 379.27 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (R)-tert-Butyl (1-(3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)carbamate (CAS 2388489-26-5)
- 2-(2-Bromothiazol-4-yl)-N-butyl-1H-benzo[d]imidazole-1-carboxamide (CAS 61677-75-6)
- (5-Bromofuran-2-yl)(2-((4-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851805-50-0)
- 2-(4-((3-Bromo-4-methoxyphenyl)sulfonyl)piperazin-1-yl)ethanol (CAS 524711-39-5)
- 2-(2-(4-Benzylpiperidin-1-yl)-2-oxoethyl)-4-cyclopropyl-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 1428375-85-2)
- 3-(Thiophen-3-yl)piperidine (CAS 1185194-01-7)
- Methyl 2-bromo-2-(1-methoxycyclobutyl)acetate (CAS 1803597-04-7)
- 4-Chloro-3-(pyrrolidin-3-yloxy)pyridine (CAS 2355563-98-1)
- (S)-1-(4-iodophenyl)ethane-1,2-diol (CAS 647026-57-1)
- Cholic Acid Impurity 81 (CAS CATO-C4X-116081)
- n-(1-(Methylsulfonyl)piperidin-3-yl)methanesulfonamide (CAS 1462294-20-7)
- (2R,2'R,3S,3'S,4R,4'R,5R,5'R)-5,5'-((8Z,8'E)-(Propane-1,3-diylbis(azanylylidene))bis(6-amino-7,8-dihydro-9H-purine-9-yl-8-ylidene))bis(2-(hydroxymethyl)tetrahydrofuran-3,4-diol) (CAS 130543-35-0)
- N-(2-Chloropyridin-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 864759-40-0)
- Anti-Inflammatory Peptide 2 (CAS 118850-72-9)
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