Methyl Orotate - ≥98% , CAS No.6153-44-2

Name: Methyl Orotate - ≥98% , CAS No.6153-44-2
Brand: Aladdin Scientific
SKU: M304152
Availability: InStock

CAS: 6153-44-2 Cat. No.: M304152 Peso molecular: 170.13 Número EC: 228-171-9

COA

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Methyl Orotate - ≥98% CAS No(6153-44-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Product Application
Methyl Orotate is used in the synthesis of pyrrimidine hydrazine acids used in peptide recognition. Also used in the preparation of pyrimidines bearing an acyclic moiety.

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	488185833
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185833
Sonrisas canónicas	COC(=O)C1=CC(=O)NC(=O)N1
IUPAC Name	methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
InChIKey	UUTDWTOZAWFKFW-UHFFFAOYSA-N
INCHI	1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11)
Isómeros SMILES	COC(=O)C1=CC(=O)NC(=O)N1
Peso molecular	170.13
Reaxy-Rn	147574
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147574&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Hydropyrimidine carboxylic acids and derivatives Pyrimidones Vinylogous amides Methyl esters Heteroaromatic compounds Ureas Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidone - Hydropyrimidine - Methyl ester - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
F23271009	Certificate of Analysis	Apr 02, 2026	M304152
F23271013	Certificate of Analysis	Apr 02, 2026	M304152
F23271032	Certificate of Analysis	Apr 02, 2026	M304152
F2327677	Certificate of Analysis	Apr 02, 2026	M304152
F2327678	Certificate of Analysis	Apr 02, 2026	M304152
F2327685	Certificate of Analysis	Apr 02, 2026	M304152
F2327686	Certificate of Analysis	Apr 02, 2026	M304152
F2327630	Certificate of Analysis	Jun 01, 2023	M304152

Punto de fusión (°C)	244ºC
Peso molecular	170.120 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.033 Da
Monoisotopic Mass	170.033 Da
Topological Polar Surface Area	84.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	281.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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