3-[(3-Fluorobenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile CAS 439107-42-3
| CAS No. | 439107-42-3 |
| Molecular Formula | C24H21FN2S |
| Molecular Weight | 388.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-[(3-Fluorobenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439107-42-3), molecular formula C24H21FN2S and molecular weight 388.50 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[(3-Fluorobenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (C24H21FN2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO manufactures 3-[(3-Fluorobenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 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 | C24H21FN2S |
| Molecular Weight | 388.50 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 | 2 |
| Sulfur Atoms | 1 |
Related Fluorobenzyl Standards
- 2-((4-Fluorobenzyl)thio)-1-(o-tolyl)-5-(p-tolyl)-1H-imidazole (CAS 1207026-85-4)
- 2-((4-Fluorobenzyl)thio)-1,5-di-p-tolyl-1H-imidazole (CAS 1207042-56-5)
- 3-((4-Fluorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-94-7)
- 6-(2-Fluorobenzyl)-4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione (CAS 1251690-75-1)
- 2-((3-(4-Fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-morpholinoethan-1-one (CAS 863453-10-5)
- N-(4-fluorobenzyl)-4-(3-(trifluoromethyl)benzoyl)-1H-pyrrole-2-carboxamide (CAS 439111-42-9)
- (3-(2-((4-Fluorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)(4-fluorophenyl)methanone (CAS 477713-48-7)
- 4-(2-(1-(4-Fluorobenzyl)-1H-indol-3-yl)ethyl)thiomorpholine 1,1-dioxide (CAS 478040-87-8)
Recommended Standards
- 3-[(2,5-Dimethylphenyl)methyl]-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaene (CAS 860644-58-2)
- 3-Ketodigoxigenin (CAS 4442-17-5)
- 3-(3,4-Dimethoxyphenethyl)-2-mercapto-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 735322-59-5)
- 4-ANDROSTEN-3β, 17β-DIOL-11-ONE DIACETATE (CAS 4134-41-2)
- 3-Methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CAS 682327-09-9)
- 3-Methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine (CAS 1042631-82-2)
- 3-(2,4-Dichloro-5-fluorophenyl)-1h-pyrazole-4-sulfonyl chloride (CAS 1293000-27-7)
- 2-Chloro-3-(difluoromethyl)-6-fluoroisonicotinaldehyde (CAS 1806978-50-6)
- 1,3-Dihydro-2H-imidazo[4,5-b]pyrazine-2-thione (CAS 79100-21-3)
- 2-(3,6-Dichloropyridin-2-yl)acetic acid (CAS 500890-84-6)
- 4-Nitroso-sulfamethoxazole (CAS 131549-85-4)
- 5,5-Difluoro-3-(fluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole (CAS 1823381-28-7)
- 2,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 2268778-20-5)
- Anti-TF Antigen Peptide P30-1 trifluoroacetate salt (CAS 573664-50-3)
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