3-(4-Fluorophenyl)-5-(morpholin-4-yl)-7-(phenylamino)-1,4-thiazepine-6-carbonitrile CAS 338401-15-3
| CAS No. | 338401-15-3 |
| Molecular Formula | C22H19FN4OS |
| Molecular Weight | 406.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(4-Fluorophenyl)-5-(morpholin-4-yl)-7-(phenylamino)-1,4-thiazepine-6-carbonitrile (CAS 338401-15-3), molecular formula C22H19FN4OS and molecular weight 406.48 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(4-Fluorophenyl)-5-(morpholin-4-yl)-7-(phenylamino)-1,4-thiazepine-6-carbonitrile (C22H19FN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 406.48 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 3-(4-Fluorophenyl)-5-(morpholin-4-yl)-7-(phenylamino)-1,4-thiazepine-6-carbonitrile 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 | C22H19FN4OS |
| Molecular Weight | 406.48 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- 7-(4-Fluorophenyl)-2-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1242931-70-9)
- N1-((1-((4-Fluorophenyl)carbamoyl)piperidin-4-yl)methyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide (CAS 1286706-41-9)
- Ethyl 1-(5-((3-fluorophenyl)carbamoyl)-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxylate (CAS 1142210-66-9)
- 1-Benzyl-3-(2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)urea (CAS 1020976-71-9)
- 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethan-1-one (CAS 383148-66-1)
- 2-(2-Fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one (CAS 321433-43-6)
- 2-(3-Fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one (CAS 321433-44-7)
- (5-((4-Fluorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl cyclopropanecarboxylate (CAS 956193-71-8)
Recommended Standards
- 3-(4-(4-Ethoxyphenyl)-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477329-85-4)
- 3-(4-Methoxy-2-methylphenyl)-2,5-dimethyl-N-[(S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CAS 885220-61-1)
- 3-(4-(4-Ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477331-03-6)
- 4-(Furan-2-ylmethyl)-5-(3-(morpholinosulfonyl)phenyl)-4h-1,2,4-triazole-3-thiol (CAS 731776-66-2)
- N-[4-(2-Ethoxyethoxy)benzyl]-3-isopropoxyaniline (CAS 1040684-75-0)
- N4-(propan-2-yl)pyridine-3,4-diamine (CAS 34654-20-1)
- 2-(2-Chloropyridin-4-yl)-4-(2,6-difluorophenyl)thiazole (CAS 1431728-71-0)
- TERT-BUTYL 3-CARBAMOYLINDOLINE-1-CARBOXYLATE (CAS 1824025-90-2)
- 3-Amino-3,4-dihydroquinolin-2(1H)-one (CAS 40615-17-6)
- 1-(3-Amino-5-(4-fluorophenyl)thiophen-2-yl)ethan-1-one (CAS 306935-10-4)
- 6-[(E)-2-(4-Methylphenyl)ethenyl]-2-(prop-2-en-1-yl)-2,3-dihydropyridazin-3-one (CAS 303146-37-4)
- 4,5-Diethylisoxazol-3-amine (CAS 852822-25-4)
- 2-Chloro-n-{[(2,6-dimethylphenyl)carbamoyl]methyl}-n-(2-methoxyethyl)acetamide (CAS 757192-68-0)
- Des-Gly34-Tirzepatide (CAS CATO-CPTD788940)
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