Home Iodos 1256584-80-1
1256584-80-1,MFCD22124656
Catalog No.:AA000O7P

1256584-80-1 | 9-Ethyl-8-iodo-6,6-dimethyl-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile

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100mg
95%
in stock  
$43.00   $30.00
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250mg
95%
in stock  
$67.00   $47.00
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1g
95%
in stock  
$138.00   $97.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000O7P
Chemical Name:
9-Ethyl-8-iodo-6,6-dimethyl-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile
CAS Number:
1256584-80-1
Molecular Formula:
C21H17IN2O
Molecular Weight:
440.2769
MDL Number:
MFCD22124656
SMILES:
N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)I
Properties
Computed Properties
 
Complexity:
608  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
5.6  

Downstream Synthesis Route
9-ethyl-8-iodo-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzobcarbazole-3-carbonitrile 
  53617-35-9    1256580-46-7 

[1]Patent:CN106928185,2017,A.Locationinpatent:Paragraph0023;0031;0036-0038;0043-0045;0050-0051

[2]Patent:CN108178743,2018,A.Locationinpatent:Paragraph0048;0059;0060;0073;0086

[3]Patent:CN110590739,2019,A.Locationinpatent:Paragraph0057;0068-0069;0070;0076;0077;0083;0084-0137

[1]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN110590739,2019,ALocationinpatent:Paragraph0057;0066-0067;0070;0075;0077;0082

[1]Xie,Shaowen;Sun,Yuan;Liu,Yulin;Li,Xinnan;Li,Xinuo;Zhong,Wenyi;Zhan,Feiyan;Zhu,Jingjie;Yao,Hong;Yang,Dong-Hua;Chen,Zhe-Sheng;Xu,Jinyi;Xu,Shengtao[JournalofMedicinalChemistry,2021,vol.64,#13,p.9120-9140]

Literature
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SDS
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Tags:1256584-80-1 Molecular Formula|1256584-80-1 MDL|1256584-80-1 SMILES|1256584-80-1 9-Ethyl-8-iodo-6,6-dimethyl-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile