4-(2-Amino-4-thiazolyl)benzoic Acid - ≥97% , CAS No.216959-94-3

CAS: 216959-94-3 Cat. No.: B698454 Molecular Weight: 220.25 EC Number: 818-324-3 PubChem CID: 613179
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
4-(2-Aminothiazol-4-yl)benzoic acid
Storage
Store at 2-8°C,Protected from light,Argon charged,Desiccated
Shipped In
Wet ice
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Size
Status
Price
Qty
250mg
B698454-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$22.90
1g
B698454-1g
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$61.90
5g
B698454-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$193.90

$233.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged,Desiccated 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

Synonyms
4-(2-Aminothiazol-4-yl)benzoic acid
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1C2=CSC(=N2)N)C(=O)O
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)benzoic acid
InChIKeyDGZPYJBDYGAEBE-UHFFFAOYSA-N
INCHI1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
Isomeric SMILES C1=CC(=CC=C1C2=CSC(=N2)N)C(=O)O
PubChem CID 613179
Molecular Weight 220.25

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids
Alternative Parents Benzoyl derivatives  2,4-disubstituted thiazoles  2-amino-1,3-thiazoles  Heteroaromatic compounds  Amino acids  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzoic acid - Benzoyl - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight220.250 g/mol
XLogP32.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass220.031 Da
Monoisotopic Mass220.031 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity242.000
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
Solution Calculators
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