3-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}propanoic acid CAS 950029-05-7
| CAS No. | 950029-05-7 |
| Molecular Formula | C9H14N2O3S |
| Molecular Weight | 230.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}propanoic acid (C9H14N2O3S) 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 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 230.28 g/mol, it falls into the medium-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.
3-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}propanoic acid (CAS 950029-05-7), molecular formula C9H14N2O3S and molecular weight 230.28 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C9H14N2O3S |
| Molecular Weight | 230.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 439138-78-0)
- 3-Amino-4-methoxy-N,N-dimethyl-benzenesulfonamide (CAS 7400-96-6)
- 3,5-Dimethyl-4'-fluorobenzhydrol (CAS 844856-33-3)
- 3-Amino-N-(2-methoxyethyl)benzenesulfonamide (CAS 436095-42-0)
- 8-Bromo-3-chloro-4-quinolinol (CAS 1204810-71-8)
- (S)-2-(Cbz-amino)butyric Acid (CAS 42918-86-5)
- 2-Nitro-5-(piperidin-1-yl)benzamide (CAS 421558-77-2)
- 2-(2-Piperidinyl)ethyl isonicotinate hydrochloride (CAS 1220020-12-1)
- Methyl 5-acetamido-4-bromofuran-2-carboxylate (CAS 2138550-12-4)
- (2-Methylthiazol-4-yl)boronic acid (CAS 1246761-85-2)
- 5-Bromo-2-oxo-2H-chromene-3-carboxylic acid (CAS 54682-43-8)
- 4-Chloro-5-(trifluoromethyl)phthalic acid (CAS 1301739-50-3)
- N-(Furan-2-ylmethyl)-3-methoxy-1-methyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide (CAS 1448034-30-7)
- Insulin Degludec Impurity 6 (CAS CATO-C4X-21576)
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