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912556-91-3,MFCD26383919
Catalog No.:AA00IGHE

912556-91-3 | N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$192.00   $134.00
- +
250mg
95%
in stock  
$287.00   $201.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IGHE
Chemical Name:
N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
CAS Number:
912556-91-3
Molecular Formula:
C18H16Cl2FN3O2
Molecular Weight:
396.2429
MDL Number:
MFCD26383919
SMILES:
ClCCCOc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Cl)F
Properties
Computed Properties
 
Complexity:
437  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5  

Upstream Synthesis Route

[1]Patent:WO2013/71697,2013,A1,.Locationinpatent:Paragraph00197

[2]Patent:US2014/228361,2014,A1,.Locationinpatent:Paragraph0277-0278

[3]Patent:US2014/206664,2014,A1,.Locationinpatent:Paragraph0225;0229

[4]Patent:EP2796451,2014,A1,.Locationinpatent:Paragraph0082

[1]Patent:CN103539702,2016,B,.Locationinpatent:Paragraph0085-0087

[2]BioorganicandMedicinalChemistryLetters,2017,vol.27,#18,p.4309-4313

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

Downstream Synthesis Route

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5385-5388

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

[1]Molecules,2007,vol.12,p.673-678

[1]Molecules,2007,vol.12,p.673-678

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5385-5388

Literature
Quotation Request
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SDS
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Tags:912556-91-3 Molecular Formula|912556-91-3 MDL|912556-91-3 SMILES|912556-91-3 N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
Catalog No.: AA00IGHE
912556-91-3,MFCD26383919
912556-91-3 | N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
Pack Size： 100mg
Purity： 95%
in stock
$192.00 $134.00
Pack Size： 250mg
Purity： 95%
in stock
$287.00 $201.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IGHE
Chemical Name: N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
CAS Number: 912556-91-3
Molecular Formula: C18H16Cl2FN3O2
Molecular Weight: 396.2429
MDL Number: MFCD26383919
SMILES: ClCCCOc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Cl)F
Properties
Complexity: 437  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5  
Upstream Synthesis Route
109-70-6    184475-71-6    912556-91-3 

[1]Patent:WO2013/71697,2013,A1,.Locationinpatent:Paragraph00197

[2]Patent:US2014/228361,2014,A1,.Locationinpatent:Paragraph0277-0278

[3]Patent:US2014/206664,2014,A1,.Locationinpatent:Paragraph0225;0229

[4]Patent:EP2796451,2014,A1,.Locationinpatent:Paragraph0082

367-21-5    912556-91-3 

[1]Patent:CN103539702,2016,B,.Locationinpatent:Paragraph0085-0087

[2]BioorganicandMedicinalChemistryLetters,2017,vol.27,#18,p.4309-4313

692059-41-9    367-21-5    912556-91-3 

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

380844-22-4    912556-91-3 

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

380844-26-8    912556-91-3 

[1]Molecules,2007,vol.12,#3,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#19,p.5385-5388

Downstream Synthesis Route
692059-41-9    367-21-5    912556-91-3 

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5385-5388

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

110-91-8    912556-91-3    184475-35-2 

[1]Molecules,2007,vol.12,p.673-678

574738-93-5    912556-91-3 

[1]Molecules,2007,vol.12,p.673-678

6702-50-7    912556-91-3 

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

380844-22-4    912556-91-3 

[1]Molecules,2007,vol.12,p.673-678

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3637-3640

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5385-5388

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