2-(2,5-Dimethylfuran-3-carboxamido)benzoic acid - ≥97% , CAS No.357420-38-3

CAS: 357420-38-3 Cat. No.: B699176 Molecular Weight: 259.26 PubChem CID: 823622
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
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Price
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100mg
B699176-100mg
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$37.90

$56.90
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250mg
B699176-250mg
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$54.90

$82.90
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1g
B699176-1g
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$141.90

$212.90
Save $71.00 (33.35%)
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Why this grade

≥97% 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

Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2C(=O)O
IUPAC Name2-[(2,5-dimethylfuran-3-carbonyl)amino]benzoic acid
InChIKeyRPYKMMAYYAVBAH-UHFFFAOYSA-N
INCHI1S/C14H13NO4/c1-8-7-11(9(2)19-8)13(16)15-12-6-4-3-5-10(12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
Isomeric SMILES CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2C(=O)O
PubChem CID 823622
Molecular Weight 259.26

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
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides - Furanilides
Direct Parent3-furanilides
Alternative Parents Benzoic acids  Furan-3-carboxylic acid and derivatives  Benzoyl derivatives  Vinylogous amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 3-furanilide - Benzoic acid or derivatives - Benzoic acid - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Benzoyl - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 3-position with an anilide.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 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 Weight259.260 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass259.084 Da
Monoisotopic Mass259.084 Da
Topological Polar Surface Area79.500 Ų
Heavy Atom Count19
Formal Charge0
Complexity357.000
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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