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51527-19-6,MFCD00052300
Catalog No.:AA00D9T2

51527-19-6 | 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$144.00   $101.00
- +
1g
97%
in stock  
$303.00   $212.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D9T2
Chemical Name:
2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid
CAS Number:
51527-19-6
Molecular Formula:
C11H9ClO2S
Molecular Weight:
240.7060
MDL Number:
MFCD00052300
SMILES:
OC(=O)Cc1sc2c(c1C)cc(cc2)Cl
Properties
Properties
 
BP:
422.784°C at 760 mmHg  
Form:
Solid  
MP:
177 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.9  

Downstream Synthesis Route
3218-36-8    51527-19-6   
(R)-5-Benzyl-1-biphenyl-4-ylmethyl-3-(5-chloro-3-methyl-benzobthiophen-2-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one 

[1]Matthews,Jay;Rivero,RalphA.[JournalofOrganicChemistry,1998,vol.63,#14,p.4808-4810]

[1]CurrentPatentAssignee:NEUROCRINEBIOSCIENCESINC-WO2007/98356,2007,A1Locationinpatent:Page/Pagecolumn19

[1]Locationinpatent:schemeortableVickers,Troy;Dyck,Brian;Tamiya,Junko;Zhang,Mingzhu;Jovic,Florence;Grey,Jonathan;Fleck,BethA.;Aparicio,Anna;Johns,Michael;Jin,Liping;Tang,Hui;Foster,AlanC.;Chen,Chen[BioorganicandMedicinalChemistryLetters,2008,vol.18,#11,p.3230-3235]

Literature

Title: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.

Journal: Nature chemical biology 20100901

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Tags:51527-19-6 Molecular Formula|51527-19-6 MDL|51527-19-6 SMILES|51527-19-6 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid