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1235865-77-6,MFCD28129979
Catalog No.:AA000KR4

1235865-77-6 | 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$9.00   $7.00
- +
250mg
95%
in stock  
$12.00   $8.00
- +
1g
95%
in stock  
$30.00   $21.00
- +
5g
95%
in stock  
$128.00   $89.00
- +
25g
95%
in stock  
$635.00   $444.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000KR4
Chemical Name:
2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
CAS Number:
1235865-77-6
Molecular Formula:
C33H35ClN4O3
Molecular Weight:
571.1090
MDL Number:
MFCD28129979
SMILES:
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)O
Properties
Computed Properties
 
Complexity:
943  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Patent:CN106565706,2017,A.Locationinpatent:Paragraph0209;0210;0211

[2]Patent:CN104370905,2016,B.Locationinpatent:Paragraph0030;0031;0034;0035

[3]Patent:WO2018/29711,2018,A2.Locationinpatent:Page/Pagecolumn35;36;37

[4]Patent:CN108658983,2018,A.Locationinpatent:Paragraph0153;0156;0167;0168

[5]Patent:US2010/184766,2010,A1.Locationinpatent:Page/Pagecolumn56

[6]Patent:US2010/305122,2010,A1.Locationinpatent:Page/Pagecolumn119-120

[7]Patent:WO2011/150016,2011,A1.Locationinpatent:Page/Pagecolumn80

[8]Patent:WO2012/71336,2012,A1.Locationinpatent:Page/Pagecolumn12

[9]Patent:US2014/275082,2014,A1.Locationinpatent:Paragraph0230

[10]Patent:WO2016/24230,2016,A1.Locationinpatent:Paragraph00748

[11]Patent:WO2017/212431,2017,A1.Locationinpatent:Page/Pagecolumn65;66

[12]Patent:WO2018/225043,2018,A1.Locationinpatent:Page/Pagecolumn17

[13]Patent:US10213433,2019,B2.Locationinpatent:Page/Pagecolumn13

[1]Patent:CN109438441,2019,A.Locationinpatent:Paragraph0042;0043;0044;0045

[1]Patent:CN108997333,2018,A.Locationinpatent:Paragraph0065;0067;0075;0084;0094;0103;0113

[2]JournalofOrganicChemistry,2019,vol.84,p.4814-4829

[3]Patent:US2014/275540,2014,A1.Locationinpatent:Paragraph0163;0164

[4]Patent:CN104370905,2016,B.Locationinpatent:Paragraph0030;0031;0036;0037

[5]Patent:WO2017/156398,2017,A1.Locationinpatent:Paragraph0253;0254;0255;0256;0257;0258;0259-0261

[6]Patent:WO2012/71336,2012,A1.Locationinpatent:Page/Pagecolumn20

[7]Patent:WO2018/29711,2018,A2.Locationinpatent:Page/Pagecolumn37;38;39

[8]Patent:US2010/305122,2010,A1.Locationinpatent:Page/Pagecolumn122

[9]Patent:WO2016/24230,2016,A1.Locationinpatent:Paragraph00749

[10]Patent:US10213433,2019,B2.Locationinpatent:Page/Pagecolumn17

[11]Patent:WO2011/150016,2011,A1.Locationinpatent:Page/Pagecolumn82

[12]Patent:WO2017/212431,2017,A1.Locationinpatent:Page/Pagecolumn66

[13]Patent:WO2018/225043,2018,A1.Locationinpatent:Page/Pagecolumn17;18

[1]Patent:US2010/305122,2010,A1.Locationinpatent:Page/Pagecolumn157-158

[2]Patent:US10213433,2019,B2.Locationinpatent:Page/Pagecolumn95

[1]Patent:US2010/305122,2010,A1.Locationinpatent:Page/Pagecolumn206

[2]Patent:US10213433,2019,B2.Locationinpatent:Page/Pagecolumn202

Literature
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Tags:1235865-77-6 Molecular Formula|1235865-77-6 MDL|1235865-77-6 SMILES|1235865-77-6 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid