Skip to the beginning of the images gallery

Ethyl 1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate - 98%, high purity , CAS No.98349-25-8

COA

Grade & Purity:

≥98%

Cas Number: 98349-25-8
Molecular Weight: 293.27
MDL number: MFCD01646378
PubChem CID: 9817544
PubChem SID: 488196327

In stock

Item Number

E404406

Grouped product items
SKU	Size	Availability	Price
E404406-1g	1g	6	$45.90
E404406-5g	5g	9	$143.90
E404406-25g	25g	4	$427.90

View related series

quinolines (133)

Basic Description

Synonyms	ethyl 1-cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxo-quinoline-3-carboxylate \| ethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate \| QYGNYHKBMNUIJN-UHFFFAOYSA-N \| EC 422-380-0 \| SB71654 \| 1-cyclopropyl-6,7-difluoro- 1,4-dihydro-4-oxo-3-quinolineca
Specifications & Purity	≥98%
Storage Temp	Argon charged

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

Names and Identifiers

Pubchem Sid	488196327
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196327
IUPAC Name	ethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
INCHI	InChI=1S/C15H13F2NO3/c1-2-21-15(20)10-7-18(8-3-4-8)13-6-12(17)11(16)5-9(13)14(10)19/h5-8H,2-4H2,1H3
InChIKey	QYGNYHKBMNUIJN-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3
Isomeric SMILES	CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3
Molecular Weight	293.27
Reaxy-Rn	4529116
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4529116&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.

4 results found

Lot Number	Certificate Type	Date	Item
D2312013	Certificate of Analysis	Sep 06, 2022	E404406
J2228517	Certificate of Analysis	Sep 06, 2022	E404406
J2228516	Certificate of Analysis	Sep 06, 2022	E404406
J2228531	Certificate of Analysis	Sep 06, 2022	E404406

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	230 °C
Molecular Weight	293.260 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	293.086 Da
Monoisotopic Mass	293.086 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	489.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration