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Ethyl 2-bromo-4-methylthiazole-5-carboxylate - 97%, high purity , CAS No.22900-83-0

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Ethyl 2-bromo-4-methylthiazole-5-carboxylate - 97%, high purity , CAS No.22900-83-0

COA

Grade & Purity:

≥97%

Cas Number: 22900-83-0
Molecular Weight: 250.11
MDL number: MFCD03791227
PubChem CID: 2824057
PubChem SID: 504762215

In stock

Item Number

E135708

Grouped product items
SKU	Size	Availability	Price
E135708-1g	1g	3	$43.90
E135708-5g	5g	3	$140.90
E135708-25g	25g	3	$632.90

View related series

Halogenated heterocyclic block (1171) Thiazoles (162)

Basic Description

Synonyms	AP-501/40831450 \| 5-Thiazolecarboxylic acid, 2-bromo-4-methyl-, ethyl ester \| AKOS002339532 \| CCG-251658 \| 2-Bromo-4-methyl-thiazole-5-carboxylic acid ethyl ester \| 2-bromo-4-methylthiazole-5-carboxylic acid ethyl ester \| IDI1_015930 \| 5W-0289 \| ethyl 2-b
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Thiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolecarboxylic acids and derivatives
Alternative Parents	2,4,5-trisubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
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

Associated Targets(non-human)

ddlB D-alanylalanine synthetase (66 Activities)

Discover Target: ddlB

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

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

Discover Target: murA

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504762215
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762215
IUPAC Name	ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
INCHI	InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChIKey	CFBIOWPDDZPIDP-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(N=C(S1)Br)C
Isomeric SMILES	CCOC(=O)C1=C(N=C(S1)Br)C
WGK Germany	3
Molecular Weight	250.11
Reaxy-Rn	142600
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142600&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

3 results found

Lot Number	Certificate Type	Date	Item
B2225187	Certificate of Analysis	Dec 13, 2023	E135708
B2225249	Certificate of Analysis	Dec 13, 2023	E135708
E1703008	Certificate of Analysis	Dec 07, 2022	E135708

Chemical and Physical Properties

Solubility	Slightly soluble in Methanol
Melt Point(°C)	68 °C
Molecular Weight	250.120 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	248.946 Da
Monoisotopic Mass	248.946 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179.000
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

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