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4，4'-Azanediyldibenzoic acid - ≥97%, high purity , CAS No.20800-00-4

COA

Grade & Purity:

≥97%

Cas Number: 20800-00-4
Molecular Weight: 257.24
PubChem CID: 4712246

In stock

Item Number

A709291

Grouped product items
SKU	Size	Availability	Price
A709291-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
A709291-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
A709291-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
A709291-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,072.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Aniline and substituted anilines Primary aromatic amines Amino acids Secondary amines Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Primary aromatic amine - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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(Human)

AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)

Discover Target: AKR1C3

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

IUPAC Name	4-(4-carboxyanilino)benzoic acid
INCHI	InChI=1S/C14H11NO4/c16-13(17)9-1-5-11(6-2-9)15-12-7-3-10(4-8-12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKey	JGFIUFCBEWNBDN-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)O)NC2=CC=C(C=C2)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C(=O)O)NC2=CC=C(C=C2)C(=O)O
PubChem CID	4712246
Molecular Weight	257.24

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	257.240 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	257.069 Da
Monoisotopic Mass	257.069 Da
Topological Polar Surface Area	86.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	296.000
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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