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184177-83-1,MFCD18374617
Catalog No.:AA0037TW

184177-83-1 | 2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$14.00   $10.00
- +
250mg
98%
in stock  
$22.00   $15.00
- +
1g
98%
in stock  
$54.00   $38.00
- +
5g
98%
in stock  
$159.00   $111.00
- +
  • 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:
AA0037TW
Chemical Name:
2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one
CAS Number:
184177-83-1
Molecular Formula:
C30H35N5O3
Molecular Weight:
513.6306
MDL Number:
MFCD18374617
SMILES:
CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)O)[C@@H](OCc1ccccc1)C
Properties
Computed Properties
 
Complexity:
766  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
9  
XLogP3:
5.2  

Upstream Synthesis Route

[1]Patent:CN106749207,2017,A,.Locationinpatent:Paragraph0032;0033;0034

[1]Patent:US2014/343285,2014,A1,.Locationinpatent:Paragraph0340;0341;0342

[1]Patent:CN106632284,2017,A,.Locationinpatent:Paragraph0049;0052;0053

[1]Patent:CN105461644,2016,A,.Locationinpatent:Paragraph0072-0078

[1]Patent:CN107619396,2018,A,.Locationinpatent:Paragraph0016;0018

Downstream Synthesis Route
C32H37N5O4 
  184177-83-1 

[1]Patent:WO2009/141837,2009,A2.Locationinpatent:Page/Pagecolumn18

184177-83-1   
(1S)-(2S)-2-(1-ethyl-2-hydroxy-propyl)-4-{4-4-(4-hydroxy-phenyl)-piperazin-1-yl-phenyl}-2,4-dihydro-1,2,4triazol-3-onehydrochloride 

[1]Patent:WO2009/141837,2009,A2.Locationinpatent:Page/Pagecolumn22

184177-83-1   
((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl4-chlorobenzenesulfonate 
  170985-86-1 

[1]Patent:WO2009/141837,2009,A2.Locationinpatent:Page/Pagecolumn23

[2]Patent:WO2019/77627,2019,A1.Locationinpatent:Page/Pagecolumn14;34

[1]Patent:US2014/343285,2014,A1.Locationinpatent:Paragraph0343

[2]Patent:WO2017/51342,2017,A1.Locationinpatent:Page/Pagecolumn15;16

[3]Patent:CN108239077,2018,A.Locationinpatent:Paragraph0015;0027;0032;0034

[4]Patent:CN106749207,2017,A.Locationinpatent:Paragraph0035;0036;0037

[5]Patent:WO2011/158248,2011,A2.Locationinpatent:Page/Pagecolumn29

[6]Patent:WO2015/59716,2015,A2.Locationinpatent:Page/Pagecolumn25;26

[7]Patent:US2019/71408,2019,A1.Locationinpatent:Paragraph0248-0249

[8]Patent:WO2019/77627,2019,A1.Locationinpatent:Page/Pagecolumn14;33;34

[9]Patent:CN109796446,2019,A.Locationinpatent:Paragraph0043;0067;0068;0095;0096

[1]Patent:US2014/343285,2014,A1.Locationinpatent:Paragraph0340;0341;0342

[2]Patent:WO2019/77627,2019,A1.Locationinpatent:Page/Pagecolumn12;22;23

[3]JournalofStructuralChemistry,2019,vol.60,p.1173-1179

Literature
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SDS
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Tags:184177-83-1 Molecular Formula|184177-83-1 MDL|184177-83-1 SMILES|184177-83-1 2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one