2-((6-Amino-9-butyl-9H-purin-8-yl)thio)butanoic acid CAS 1416347-33-5
| CAS No. | 1416347-33-5 |
| Molecular Formula | C13H19N5O2S |
| Molecular Weight | 309.39 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 2-((6-Amino-9-butyl-9H-purin-8-yl)thio)butanoic acid.
2-((6-Amino-9-butyl-9H-purin-8-yl)thio)butanoic acid (CAS 1416347-33-5), molecular formula C13H19N5O2S and molecular weight 309.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((6-Amino-9-butyl-9H-purin-8-yl)thio)butanoic acid (C13H19N5O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 309.39 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 | C13H19N5O2S |
| Molecular Weight | 309.39 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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- 5-Bromo-2-methyl-4-nitropyridine-1-oxide, 97% (CAS 62516-08-9)
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