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146368-11-8,MFCD29477740
Catalog No.:AA001DVB

146368-11-8 | 3H-Indolium, 2-[5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$91.00   $64.00
- +
5mg
97%
in stock  
$199.00   $139.00
- +
25mg
97%
in stock  
$411.00   $288.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001DVB
Chemical Name:
3H-Indolium, 2-[5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
CAS Number:
146368-11-8
Molecular Formula:
C33H40N2O8S2
Molecular Weight:
656.8093
MDL Number:
MFCD29477740
SMILES:
CC[N+]1=C(/C=C/C=C/C=C\2/N(CCCCCC(=O)O)c3c(C2(C)C)cc(cc3)S(=O)(=O)O)C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C
Properties
Computed Properties
 
Complexity:
1430  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
3  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
11  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Jiang,Lin-Ling;Dou,Li-Fang;Li,Bao-Lin[TetrahedronLetters,2007,vol.48,#33,p.5825-5829]

146368-08-3   
malonaldehydebis(phenylimine)monohydrochloride 
  146368-07-2    146368-11-8 

[1]CurrentPatentAssignee:CARNEGIEMELLONUNIVERSITY;DANAHERCORP-EP1394219,2004,A1Locationinpatent:Page27

[1]CurrentPatentAssignee:CARNEGIEMELLONUNIVERSITY;DANAHERCORP-EP1394219,2004,A1Locationinpatent:Page27

[1]OrganicandBiomolecularChemistry,2010,vol.8,p.4329-4345

[2]JournaloftheAmericanChemicalSociety,2013,vol.135,p.18445-18457

[1]Patent:WO2015/136545,2015,A1.Locationinpatent:Page/Pagecolumn83

Literature
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SDS
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Tags:146368-11-8 Molecular Formula|146368-11-8 MDL|146368-11-8 SMILES|146368-11-8 3H-Indolium, 2-[5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt