(R)-2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile CAS 1000852-17-4
| CAS No. | 1000852-17-4 |
| Molecular Formula | C18H17BrN4O3 |
| Molecular Weight | 417.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (R)-2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (R)-2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 1000852-17-4), a certified reference material (molecular formula C18H17BrN4O3, MW 417.26 g/mol) for analytical method development and quality control.
Structurally, (R)-2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile (C18H17BrN4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 417.26 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.
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 | C18H17BrN4O3 |
| Molecular Weight | 417.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related R Standards
- 2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 475576-83-1)
- 2,7,12-Triamino-5H-diindeno[1,2-a:1',2'-c]fluorene-5,10,15-trione (CAS 209112-55-0)
- 1,4,5-Triamino-2,6-bis(2,5-dimethylphenoxy)anthracene-9,10-dione (CAS 88623-51-2)
- 1,4,5-Triamino-2,6-bis(3,5-dimethylphenoxy)anthracene-9,10-dione (CAS 88600-55-9)
- 3,4,11-Triamino-1H-naphtho[2,3-f]isoindole-1,5,10-trione (CAS 13418-50-3)
- 1,4,5-Triamino-2,6-bis(2,5-dichlorophenoxy)anthracene-9,10-dione (CAS 88600-50-4)
- 1,4,5-Triamino-2,6-bis(3,4-dichlorophenoxy)anthracene-9,10-dione (CAS 88600-54-8)
- 1,3,5-Triamino-2,4,6-trinitrobenzene (CAS 3058-38-6)
Recommended Standards
- 4-((4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy)-3-methoxybenzaldehyde (CAS 959581-33-0)
- Methyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline-1-carbonyl)benzoate (CAS 1374249-67-8)
- 2-Amino-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 332177-07-8)
- 1,3-Bis(1,1-dimethylethyl) 2-(3-bromo-5-nitrophenyl)imidodicarbonate (CAS 2446931-63-9)
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- (R)-2-((tert-Butoxycarbonyl)amino)-3,3-difluoropropanoic acid (CAS 2349311-08-4)
- 3-Methylfuran-d3 (CAS 105855-05-8)
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- 4-Ethylthiazole-2-carboxylic acid (CAS 1181456-13-2)
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- 1-(4-Bromopent-4-en-1-yl)-3-fluorobenzene (CAS 1143461-57-7)
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