6-Amino-N-(3-chloro-4-fluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carboxamide CAS 626227-22-3
| CAS No. | 626227-22-3 |
| Molecular Formula | C18H12ClF4N3OS |
| Molecular Weight | 429.82 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 6-Amino-N-(3-chloro-4-fluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
6-Amino-N-(3-chloro-4-fluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carboxamide (CAS 626227-22-3), molecular formula C18H12ClF4N3OS and molecular weight 429.82 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-Amino-N-(3-chloro-4-fluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carboxamide (C18H12ClF4N3OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C18H12ClF4N3OS |
| Molecular Weight | 429.82 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Amino Standards
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Recommended Standards
- 5-Chloro-3-(phenyldiazenyl)-1-(3-(trifluoromethyl)benzyl)-1H-indol-2-ol (CAS 303984-80-7)
- Methyl 4-[(2-{[(4-chlorophenyl)carbamoyl]amino}-4-(trifluoromethyl)phenyl)amino]butanoate (CAS 339101-65-4)
- Cloransulam-Methyl (CAS 147150-35-4)
- N-(3-chloro-4-fluorophenyl)-2-((3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetamide (CAS 626227-14-3)
- n-(3-Hydroxypropyl)-4-ureidobenzamide (CAS 1155046-73-3)
- (R)-1-(3-Chloropyridin-2-yl)-2,2,2-trifluoroethanamine (CAS 1213528-71-2)
- Ethyl 3-(3-aminophenyl)acrylate (CAS 6328-01-4)
- 2-(4-Phenylpiperazin-1-yl)quinolin-8-ol (CAS 941868-43-5)
- 2,4-Dichloro-6-methylbenzoyl chloride (CAS 52207-67-7)
- 3-Amino-6-(2,6-difluorophenyl)picolinic acid (CAS 1052714-89-2)
- (2-Bromophenyl)methanesulfonamide (CAS 113283-03-7)
- 5-Bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-3-acetic Acid (CAS 393509-23-4)
- (Z)-2-Chloro-N'-hydroxyethanimidamide (CAS 1403889-97-3)
- Semaglutide impound 212 (CAS CATO-C4X-2226212)
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