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Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate - 98%, high purity , CAS No.107555-38-4

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Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate - 98%, high purity , CAS No.107555-38-4

COA

Grade & Purity:

≥98%

Cas Number: 107555-38-4
Molecular Weight: 253.2
PubChem CID: 2798043

In stock

Item Number

E179297

Grouped product items
SKU	Size	Availability	Price
E179297-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,075.90
E179297-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,772.90
E179297-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,197.90

Basic Description

Synonyms	ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate \| 107555-38-4 \| ethyl 6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate \| 6,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid ethyl ester \| NUHKASXLPYOGHW-UHFFFAOYSA-N \| Maybridge3_000305 \| Bionet2_000041 \| Oprea1_128487 \| SC
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Fluoroquinolones
Alternative Parents	Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Fluoroquinolone - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and bears a ketone group.
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)

Plasmodium berghei (192651 Activities)

Explore this target

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	ethyl 6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate
INCHI	InChI=1S/C12H9F2NO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16)
InChIKey	NUHKASXLPYOGHW-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2F)F
Isomeric SMILES	CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2F)F
Molecular Weight	253.2
Reaxy-Rn	414259
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=414259&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.200 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	253.055 Da
Monoisotopic Mass	253.055 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	397.000
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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