1-[(2-Chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea CAS 1005261-37-9
| CAS No. | 1005261-37-9 |
| Molecular Formula | C21H29ClN2O2S |
| Molecular Weight | 408.99 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 1-[(2-Chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea.
1-[(2-Chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea (CAS 1005261-37-9), molecular formula C21H29ClN2O2S and molecular weight 408.99 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-[(2-Chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea (C21H29ClN2O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1-[(2-Chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H29ClN2O2S |
| Molecular Weight | 408.99 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 8-Bromo-1,5-naphthyridine-3-carboxylic acid (CAS 2007916-63-2)
- 5-Oxo-5-(2-phenylmorpholino)pentanoic acid (CAS 1184031-00-2)
- 5-Chloro-2,4-dihydroxy-6-methylnicotinamide (CAS 1427013-36-2)
- 2-(1,1-Dioxo-1lambda6-thietan-3-yl)ethane-1-sulfonyl chloride (CAS 1888879-40-0)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 250714-11-5)
- tert-Butyl 6-fluoro-3-methyl-1H-indazole-1-carboxylate (CAS 174180-43-9)
- 1-(iodomethyl)cyclopropanecarboxylic acid (CAS 2815267-24-2)
- 1-(4-(Benzyl(methyl)amino)piperidin-1-yl)-2-chloroethanone (CAS 1353962-89-6)
- Semaglutide impound 212 (CAS CATO-C4X-2226212)
Why CATO?
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