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· · COA & SDS available for every product · Same-day shipping on in-stock items Bromo-willardiine , CAS No.19772-78-2
Synonyms
BROMO-WILLARDIINE | 5-Bromowillardiine | QGW9M0L9SJ | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | BWD | 1mqh | 1mxu | 5-Bromo-S-willardiine | 1my3 | 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine | UNII-QGW9
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
BROMO-WILLARDIINE | 5-Bromowillardiine | QGW9M0L9SJ | 2-AMINO-3-(5-BROMO-2, 4-DIOXO-3, 4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | BWD | 1mqh | 1mxu | 5-Bromo-S-willardiine | 1my3 | 3-(5-bromo-2, 4-dioxo-3, 4-dihydropyrimidin-1(2h)-yl)-l-alanine | UNII-QGW9
Product Properties Names and Identifiers Canonical Smiles C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Br IUPAC Name (2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid InChIKey AEKIJKSVXKWGRJ-BYPYZUCNSA-N INCHI 1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 Isomeric SMILES C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br Molecular Weight 278.06 Reaxy-Rn 7817208 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7817208&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids Direct Parent L-alpha-amino acids Alternative Parents Pyrimidones Halopyrimidines Aryl bromides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organobromides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Molecular Framework Aromatic heteromonocyclic compounds Substituents L-alpha-amino acid - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Amino acid - Urea - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. External Descriptors organobromine compound - non-proteinogenic L-alpha-amino acid - L-alanine derivative Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 278.060 g/mol XLogP3 -3.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 276.97 Da Monoisotopic Mass 276.97 Da Topological Polar Surface Area 113.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 354.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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