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17266-30-7,MFCD00052308
Catalog No.:AA003MLO

17266-30-7 | 5-Chlorobenzo[b]thiophene-3-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$73.00   $51.00
- +
250mg
98%
in stock  
$101.00   $71.00
- +
1g
98%
in stock  
$200.00   $140.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MLO
Chemical Name:
5-Chlorobenzo[b]thiophene-3-acetic acid
CAS Number:
17266-30-7
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD00052308
SMILES:
OC(=O)Cc1csc2c1cc(Cl)cc2
Properties
Properties
 
BP:
410.6°C at 760 mmHg  
Form:
Solid  
MP:
148-150°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3  

Downstream Synthesis Route

[1]Kukolja;Draheim;Pfeil;etal.[JournalofMedicinalChemistry,1985,vol.28,#12,p.1886-1896]

[1]CurrentPatentAssignee:KEZARLIFESCIENCES;UNIVERSITYOFCALIFORNIA-WO2019/46668,2019,A1Locationinpatent:Paragraph00168

[2]Kukolja;Wright;Quay;Pfeil-Doyle;Draheim;Eudaly;Johnson;Ott;Counter;Cooper;Chauvette[JournalofMedicinalChemistry,1988,vol.31,#10,p.1987-1993]

[3]Kaila,Neelu;Janz,Kristin;Huang,Adrian;Moretto,Alessandro;DeBernardo,Silvano;Bedard,PatriciaW.;Tam,Steve;Clerin,Valerie;KeithJr.,JamesC.;Tsao,DesiréeH.H.;Sushkova,Natalia;Shaw,GrayD.;Camphausen,RaymondT.;Schaub,RobertG.;Wang,Qin[JournalofMedicinalChemistry,2007,vol.50,#1,p.40-64]

[4]CurrentPatentAssignee:PFIZERINC-US2005/101569,2005,A1Locationinpatent:Page/Pagecolumn27

[1]Kukolja;Draheim;Pfeil;etal.[JournalofMedicinalChemistry,1985,vol.28,#12,p.1886-1896]

[1]Kaila,Neelu;Janz,Kristin;Huang,Adrian;Moretto,Alessandro;DeBernardo,Silvano;Bedard,PatriciaW.;Tam,Steve;Clerin,Valerie;KeithJr.,JamesC.;Tsao,DesiréeH.H.;Sushkova,Natalia;Shaw,GrayD.;Camphausen,RaymondT.;Schaub,RobertG.;Wang,Qin[JournalofMedicinalChemistry,2007,vol.50,#1,p.40-64]

[1]Kaila,Neelu;Janz,Kristin;Huang,Adrian;Moretto,Alessandro;DeBernardo,Silvano;Bedard,PatriciaW.;Tam,Steve;Clerin,Valerie;KeithJr.,JamesC.;Tsao,DesiréeH.H.;Sushkova,Natalia;Shaw,GrayD.;Camphausen,RaymondT.;Schaub,RobertG.;Wang,Qin[JournalofMedicinalChemistry,2007,vol.50,#1,p.40-64]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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

Journal: Nature chemical biology 20100901

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SDS
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