(2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 2,4-dichlorobenzoate CAS 338749-69-2
| CAS No. | 338749-69-2 |
| Molecular Formula | C27H20Cl2F3NO4S |
| Molecular Weight | 582.42 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 (2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 2,4-dichlorobenzoate.
(2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 2,4-dichlorobenzoate (CAS 338749-69-2) is a high-purity analytical reference standard with the molecular formula C27H20Cl2F3NO4S and a molecular weight of 582.42 g/mol.
Structurally, (2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 2,4-dichlorobenzoate (C27H20Cl2F3NO4S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 582.42 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.
As a certified reference material (CRM), (2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 2,4-dichlorobenzoate 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.
Physical & Chemical Properties
| Molecular Formula | C27H20Cl2F3NO4S |
| Molecular Weight | 582.42 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
- 3,7-Dibromo-2,8-bis(octyloxy)dibenzo[b,d]furan (CAS 599212-92-7)
- Gold, (4-methylbenzenethiolato)(triphenylphosphine)- (CAS 121860-53-5)
- Bis-PEG3-PFP ester (CAS 1314378-13-6)
- Mal-NH-PEG4-CH2CH2COOPFP ester (CAS 1347750-84-8)
- (3-Chlorobenzo[b]thiophen-2-yl)(pyrrolidin-1-yl)methanone (CAS 289494-19-5)
- 4-(Azetidin-3-yloxy)benzoic acid (CAS 1015846-55-5)
- 1-(1-Naphthyl)cyclopropanemethanamine (CAS 59725-70-1)
- 5-Bromo-N-methylpyrazine-2-carboxamide (CAS 1209460-02-5)
- (3S)-3-deuterio-N-[(1R)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine (CAS 1330056-57-9)
- Naphthofluorescein diacetate (CAS 77084-71-0)
- Methyl2-methylhexanoate (CAS 2438-20-2)
- 3-(Piperidin-4-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole (CAS 1256821-69-8)
- 1-(2-Chlorophenyl)-N-methyl-3-(pyrrolidin-1-yl)propan-1-aminehydrochloride (CAS 1956335-24-2)
- TRAF6 Control Peptide trifluoroacetate salt (CAS 852690-80-3)
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