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112811-72-0,MFCD05864420
Catalog No.:AA00HCCU

112811-72-0 | 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$8.00   $6.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
100g
98%
in stock  
$68.00   $48.00
- +
500g
98%
in stock  
$311.00   $218.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HCCU
Chemical Name:
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
CAS Number:
112811-72-0
Molecular Formula:
C14H11F2NO4
Molecular Weight:
295.2382
MDL Number:
MFCD05864420
SMILES:
COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Properties
Computed Properties
 
Complexity:
505  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Upstream Synthesis Route

[1]Patent:EP1992626,2008,A1,.Locationinpatent:Page/Pagecolumn10

[2]Patent:WO2009/125425,2009,A2,.Locationinpatent:Page/Pagecolumn11

[3]Patent:WO2008/59521,2008,A2,.Locationinpatent:Page/Pagecolumn27

[4]Patent:WO2007/10555,2007,A2,.Locationinpatent:Page/Pagecolumn12;14

[5]Patent:EP2551268,2013,A1,.Locationinpatent:Paragraph0051,0052

[6]Patent:US2013/59880,2013,A1,.Locationinpatent:Paragraph0070;0071;0072;0073;0074;0075;0076

[7]SpectrochimicaActa-PartA:MolecularandBiomolecularSpectroscopy,2014,vol.121,p.254-258

[1]Patent:US5480879,1996,A,

[1]SpectrochimicaActa-PartA:MolecularandBiomolecularSpectroscopy,2014,vol.121,p.254-258

[2]Patent:CN109096276,2018,A,.Locationinpatent:Paragraph0090-0093

[1]Patent:EP2551268,2013,A1,

[2]Patent:US2013/59880,2013,A1,

[3]Patent:WO2014/87292,2014,A1,

[4]Patent:CN109096276,2018,A,

[5]Patent:CN109096276,2018,A,

[1]Patent:CN107778308,2018,A,.Locationinpatent:Paragraph0067;0068;0069

[2]AsianJournalofChemistry,2013,vol.25,#11,p.6079-6082

[3]BioorganicandMedicinalChemistry,2008,vol.16,#5,p.2558-2569

[4]Patent:US4997943,1991,A,

[5]Patent:WO2004/14893,2004,A2,.Locationinpatent:Page75;76

[6]BioorganicandMedicinalChemistryLetters,2011,vol.21,#19,p.5948-5951

[7]Patent:US4980470,1990,A,

Downstream Synthesis Route
7261-71-4    112811-72-0   
C26H38FN3O4 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5661-5664

35902-68-2    112811-72-0   
C28H42FN3O4 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5661-5664

7261-72-5    112811-72-0   
C30H46FN3O4 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5661-5664

7748-29-0    112811-72-0   
C23H32FN3O4 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5661-5664

13281-06-6    112811-72-0   
C25H36FN3O4 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5661-5664

Literature

Title: Synthesis and antitubercular activity of lipophilic moxifloxacin and gatifloxacin derivatives.

Journal: Bioorganic & medicinal chemistry letters 20071015

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:112811-72-0 Molecular Formula|112811-72-0 MDL|112811-72-0 SMILES|112811-72-0 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid