N-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide CAS 835887-67-7
| CAS No. | 835887-67-7 |
| Molecular Formula | C14H12ClN3O3S |
| Molecular Weight | 337.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide (CAS 835887-67-7) is a high-purity analytical reference standard with the molecular formula C14H12ClN3O3S and a molecular weight of 337.78 g/mol.
Structurally, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide (C14H12ClN3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 337.78 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.
As a certified reference material (CRM), N-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H12ClN3O3S |
| Molecular Weight | 337.78 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- N-(7-Chloro-4-methylbenzo[d]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CAS 897618-13-2)
- Cefaclor Impurity 63 (CAS CATO-C4X-127063)
- N-(6-Chloro-4-methylbenzo[d]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CAS 897618-12-1)
- Tizanidine impurity 23 (CAS CATO-C4X-144523)
- 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid (CAS 20246-81-5)
- 1-Vinyl-1-methylsila-17-crown-6 (CAS 83890-25-9)
- 1-Methyl-1H-benzo[d][1,2,3]triazole-4-carboxylic acid (CAS 1312556-53-8)
- 5-{[(E)-(4-Butoxyphenyl)methylidene]amino}-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile (CAS 1047724-27-5)
- Relugolix Impurity 210 (CAS CATO-C4X-2429210)
- 8-Methyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326814-09-8)
- 8-Oxa-4-thia-1-azaspiro[4.5]Decane hydrochloride (CAS 1221791-86-1)
- 5-amino-1-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 70373-98-7)
- Ethyl 4-(4-(dimethylamino)phenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 331839-71-5)
- Rac1 Inhibitor F56, control peptide (CAS 1315378-77-8)
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