Ethyl 3,4,5-trimethylpyrrole-2-carboxylate - ≥98% , CAS No.2199-46-4

CAS: 2199-46-4 Cat. No.: E168678 Peso molecular: 181.24 Número EC: 162-295-3
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
HMS547A07 | AKOS005524469 | Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester | SCHEMBL2565795 | FT-0626005 | BIDD:ER0659 | EU-0079419 | D95952 | Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate | CAA19946 | ETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
E168678-250mg
2
39,90US$
1g
E168678-1g
1
103,90US$
5g
E168678-5g
1
299,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice 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.

Specifications

Sinónimos
HMS547A07 | AKOS005524469 | Pyrrole-2-carboxylic acid, 3, 4, 5-trimethyl-, ethyl ester | SCHEMBL2565795 | FT-0626005 | BIDD:ER0659 | EU-0079419 | D95952 | Ethyl 3, 4, 5-trimethyl-1H-pyrrole-2-carboxylate | CAA19946 | ETHYL 3, 4, 5-TRIMETHYL-2-PYRROLECARBOXYLATE
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCCOC(=O)C1=C(C(=C(N1)C)C)C
IUPAC Nameethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
InChIKeyWBOGFZDTCIQHSX-UHFFFAOYSA-N
INCHI1S/C10H15NO2/c1-5-13-10(12)9-7(3)6(2)8(4)11-9/h11H,5H2,1-4H3
Isómeros SMILES CCOC(=O)C1=C(C(=C(N1)C)C)C
Peso molecular 181.24
Reaxy-Rn 132613
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132613&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePyrroles
SubclassPyrrole carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrrole carboxylic acids and derivatives
Alternative Parents Substituted pyrroles  Heteroaromatic compounds  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeFechaArticulo
G2502276Certificate of AnalysisDec 27, 2024 E168678
G2502277Certificate of AnalysisDec 27, 2024 E168678
G2502280Certificate of AnalysisDec 27, 2024 E168678
G2502281Certificate of AnalysisDec 27, 2024 E168678
G2507765Certificate of AnalysisDec 27, 2024 E168678
G2507766Certificate of AnalysisDec 27, 2024 E168678
Propiedades químicas y físicas
Sensibilidadlight sensitive
Punto de fusión (°C)123.0-130.0℃
Peso molecular181.230 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass181.11 Da
Monoisotopic Mass181.11 Da
Topological Polar Surface Area42.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity193.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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