4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid CAS 693820-63-2
| CAS No. | 693820-63-2 |
| Molecular Formula | C16H17NO4S |
| Molecular Weight | 319.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 319.38 g/mol gives 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid (CAS 693820-63-2), molecular formula C16H17NO4S and molecular weight 319.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid (C16H17NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 319.38 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H17NO4S |
| Molecular Weight | 319.38 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylbenzyl Standards
- 4-[(4-Methylbenzyl)(methylsulfonyl)amino]benzoic acid (CAS 446259-00-3)
- N-(4-methylbenzyl)-1',4'-dihydro-3'H-spiro[cyclohexane-1,2'-quinoxalin]-3'-imine (CAS 1170568-72-5)
- 3-((2-Methylbenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 896686-38-7)
- 3-((4-Methylbenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 896686-10-5)
- 3-(1-(4-Methylbenzyl)-3-phenyl-1h-pyrazol-4-yl)acrylic acid (CAS 1006494-72-9)
- N-(3-methylbenzyl)-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-imine (CAS 1170107-93-3)
- N-(4-Methylbenzyl)-1H-spiro[piperidine-4,2-quinoxalin]-3-amine (CAS 1172949-94-8)
- 950455-12-6 N-(2-Methylbenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine MFCD14281799 (CAS 950455-12-6)
Recommended Standards
- 4-(Methylthio)-6-oxo-1,2-diphenyl-1,6-dihydropyrimidine-5-carbonitrile (CAS 97242-69-8)
- 4-(4-Fluorophenyl)-5-((pyrimidin-2-ylthio)methyl)-4h-1,2,4-triazole-3-thiol (CAS 887205-28-9)
- 4-{[(3-Methylphenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 353502-15-5)
- 4-({[(3,4-dimethylphenyl)sulfonyl]amino}methyl)benzoic acid (CAS 851619-67-5)
- (S)-2-Amino-N-(4-methoxycyclohexyl)-3-methylbutanamide (CAS 1353994-37-2)
- 2-(Diisobutylamino)-2-phenylacetic acid hydrochloride (CAS 1956310-34-1)
- 6-Methyl-3-pyridinyl 4-piperidinyl etherdihydrochloride (CAS 1184991-32-9)
- 3-Bromo-4-isopropylphenol (CAS 1243363-07-6)
- (S)-1-(6-Chloropyridin-3-yl)ethan-1-amine hydrochloride (CAS 1391351-57-7)
- ethyl 2-amino-3-(3,5-dichlorophenyl)propanoate hydrochloride (CAS 856571-00-1)
- 1-Fluoro-9H-carbazole (CAS 391-26-4)
- (S)-2-Amino-2-(pyridin-4-yl)acetic acid (CAS 1228559-23-6)
- 4-(4-Propylphenyl)butanoyl chloride (CAS 1215974-13-2)
- Semaglutide Impurity 18 (CAS 1671100-14-3)
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