3-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid CAS 1006493-49-7
| CAS No. | 1006493-49-7 |
| Molecular Formula | C16H13BrN4O3 |
| Molecular Weight | 389.20 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 3-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid.
3-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid (CAS 1006493-49-7), molecular formula C16H13BrN4O3 and molecular weight 389.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid (C16H13BrN4O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 389.20 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid 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 | C16H13BrN4O3 |
| Molecular Weight | 389.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related Amino Standards
- 3-(1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl)-2-cyanoacrylic acid (CAS 1006442-44-9)
- Ethyl 5-amino-3-[2-(2,4-dichlorobenzoyloxy)ethoxy]-1,2-oxazole-4-carboxylate (CAS 477853-69-3)
- 3-Amino-4-(2,4-dichlorophenoxy)-n,n-diethylbenzenesulfonamide (CAS 565210-82-4)
- Ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445266-56-8)
- n-(5-Amino-4-(benzo[d]thiazol-2-yl)-3-oxo-2,3-dihydro-1h-pyrrol-1-yl)-1h-indole-3-carboxamide (CAS 380561-38-6)
- N-(3-Amino-4-chlorophenyl)-2-[2,4-di(tert-butyl)-phenoxy]acetamide (CAS 1020056-07-8)
- 5-Amino-2,3-diiodobenzoic acid (CAS 1687856-14-9)
- 2-Amino-3,5-diiodobenzoic acid (CAS 609-86-9)
Recommended Standards
- 1-(5-bromo-2-methoxybenzyl)-5-pyridin-3-yl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1351847-58-9)
- N-(2-Iodopyrido[1,2-b][2,4]benzodiazepin-6(11H)-ylidene)-2-propenamide (CAS 326619-66-3)
- 3-[3-(3-bromophenyl)-1-(2-carbamoylethyl)-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 956386-98-4)
- Benzyl N-[2,3-difluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate (CAS 2377607-45-7)
- 2-(Diethylamino)-4-(pyridin-2-yl)pyrimidine-5-carboxylic acid (CAS 1708080-62-9)
- 4-[(2Z/2E)-3-(4-Chlorophenyl)-3-(4-tert-butoxy-3-methoxyphenyl)prop-2-enoyl]morpholine (CAS 1786392-52-6)
- 4-((3-Bromo-4-methylphenyl)amino)-4-oxobutanoic acid (CAS 307340-27-8)
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- 1-[(3,4-Dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylic acid (CAS 860648-96-0)
- Myelin Basic Protein (85-99) Peptide Antagonist (CAS 444305-16-2)
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