1-[2-(7-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}pyrazolo[1,5-a]pyrimidin-2-yl)thiophen-3-yl]-2,5-dimethyl-1H-pyrrole CAS 439120-61-3
| CAS No. | 439120-61-3 |
| Molecular Formula | C29H22ClN5O4S2 |
| Molecular Weight | 604.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-[2-(7-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}pyrazolo[1,5-a]pyrimidin-2-yl)thiophen-3-yl]-2,5-dimethyl-1H-pyrrole 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.
1-[2-(7-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}pyrazolo[1,5-a]pyrimidin-2-yl)thiophen-3-yl]-2,5-dimethyl-1H-pyrrole (CAS 439120-61-3) is a high-purity analytical reference standard with the molecular formula C29H22ClN5O4S2 and a molecular weight of 604.10 g/mol.
Based on its molecular formula C29H22ClN5O4S2, 1-[2-(7-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}pyrazolo[1,5-a]pyrimidin-2-yl)thiophen-3-yl]-2,5-dimethyl-1H-pyrrole contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 604.10 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C29H22ClN5O4S2 |
| Molecular Weight | 604.10 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 2 |
Related chlorobenzenesulfonyl Standards
- [5-(4-Chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate (CAS 318289-12-2)
- 3-[(4-Chlorobenzenesulfonyl)methyl]-4-nitro-N-[(1E)-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]amino}methylidene]benzamide (CAS 478262-07-6)
- 3-[(4-Chlorobenzenesulfonyl)methyl]-N-[(1E)-{[(2,3-dichlorophenyl)methoxy]amino}methylidene]-4-nitrobenzamide (CAS 478262-06-5)
- (2E)-1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-en-1-one (CAS 338968-29-9)
- [5-(4-Chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 2,4-dichlorobenzoate (CAS 318289-08-6)
- [5-(4-Chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate (CAS 318289-04-2)
- 1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}-4-(4-chlorophenyl)piperazine (CAS 337921-09-2)
- 3-{2-[(4-chlorobenzenesulfonyl)methyl]-4-(pyrrolidine-1-carbonyl)phenyl}-1-(4-chlorophenyl)urea (CAS 339101-82-5)
Recommended Standards
- (1S,3R,4R,5R)-3-(((Z)-3-(1H-Imidazo[4,5-b]pyridin-1-yl)-3-phenylacryloyl)oxy)-1-(((1R,2S)-2-(4-chlorophenyl)cyclopropyl)methoxy)-4,5-dihydroxycyclohexane-1-carboxylic acid (CAS 173534-37-7)
- 1,2-Bis(tributylstannyl)ethyne (CAS 994-71-8)
- 2-Iodo-1H,1H,2H,3H,3H-perfluoroundecan-1-ol (CAS 38550-45-7)
- 2-(4-(2-Butylbenzofuran-3-carbonyl)-2,6-diiodophenoxy)acetic acid (CAS 147030-47-5)
- 1,3,4-Triphenyl-1H-1,2,4-triazole-5(4H)-selenone (CAS 185761-76-6)
- Ethyl 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)acetate (CAS 64007-56-3)
- (R)-Methyl 2-(4-formyl-3-hydroxyphenyl)propanoate (CAS 1956435-11-2)
- 478162-62-8 4-(2,6-Difluorophenyl)-4-oxobutanoic acid DTXSID70620936 (CAS 478162-62-8)
- (3-((Trifluoromethyl)sulfonyl)phenyl)methanol (CAS 1274903-38-6)
- N-(2-aminoethyl)-3,4-dichlorobenzamide hydrochloride (CAS 94319-86-5)
- 2-(Tert-butyl)-4-chloro-7-methyl-1H-indole-3-carbaldehyde (CAS 590347-84-5)
- Daprodustat impurity 3 (CAS CATO-C4X-24073)
- 2-(3-Amino-1H-pyrazol-5-yl)ethanol (CAS 1425931-98-1)
- Semaglutide238 (CAS CATO-C4X-2226238)
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