2-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acid CAS 91338-31-7
| CAS No. | 91338-31-7 |
| Molecular Formula | C11H15N3O4S |
| Molecular Weight | 285.32 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-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acid.
2-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acid (CAS 91338-31-7), molecular formula C11H15N3O4S and molecular weight 285.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acid (C11H15N3O4S) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 285.32 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.
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 | C11H15N3O4S |
| Molecular Weight | 285.32 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Allyl Standards
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- N-allyl-2-((6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy)acetamide (CAS 439111-73-6)
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Recommended Standards
- 2-(((3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)methyl)thio)pyridine 1-oxide (CAS 400081-68-7)
- 2-((2-((3,4-Dimethoxyphenyl)amino)-2-oxoethyl)thio)acetic acid (CAS 338409-77-1)
- 1-tert-Butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 338391-69-8)
- 2-((2-Oxoindolin-6-yl)thio)benzoic acid (CAS 919103-46-1)
- (2E)-1-(4-Ethylphenyl)-3-(3-methylphenyl)prop-2-en-1-one (CAS 1176632-70-4)
- 5-(4-Fluorophenyl)-1,3-oxazol-2-amine (CAS 21718-02-5)
- Retagliptin phosphate (CAS 1256756-88-3)
- H-Tyr-Ala-OH (CAS 730-08-5)
- 1-(3-Bromophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (CAS 842123-97-1)
- Methyl 2-bromo-4-methyl-5-nitrobenzoate (CAS 1202858-67-0)
- Difelikefalin Impurity 93 (CAS CATO-C4X-304193)
- n1,n1-Dimethyl-2-(pyridin-3-yl)ethane-1,2-diamine (CAS 1517061-30-1)
- 5-Bromo-3-(pyrrolidin-1-yl)pyrazin-2-amine (CAS 893611-72-8)
- Insulin Degludec Impurity 15 (CAS CATO-C4X-215715)
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