TH-302 CAS 918633-87-1
| CAS No. | 918633-87-1 |
| Molecular Formula | C9H16Br2N5O4P |
| Molecular Weight | 449.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including TH-302.
TH-302 (CAS 918633-87-1), molecular formula C9H16Br2N5O4P and molecular weight 449.04 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, TH-302 is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 449.04 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H16Br2N5O4P |
| Molecular Weight | 449.04 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
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