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17969-20-9,MFCD00721754
Catalog No.:AA00274R

17969-20-9 | 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$95.00   $67.00
- +
1g
98%
in stock  
$187.00   $131.00
- +
5g
98%
in stock  
$602.00   $421.00
- +
10g
98%
in stock  
$926.00   $648.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00274R
Chemical Name:
2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
17969-20-9
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD00721754
SMILES:
OC(=O)Cc1csc(n1)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Journalofmedicinalchemistry,1972,vol.15,p.1040-1045

[1]Journalofmedicinalchemistry,1972,vol.15,p.1040-1045

[1]Journalofmedicinalchemistry,1972,vol.15,p.1040-1045

[1]Journalofmedicinalchemistry,1972,vol.15,p.1040-1045

[1]Journalofmedicinalchemistry,1972,vol.15,p.1040-1045

Literature

Title: A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20140101

Title: In vitro exploration of potential mechanisms of toxicity of the human hepatotoxic drug fenclozic acid.

Journal: Archives of toxicology 20130801

Title: Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Journal: PLoS computational biology 20111201

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SDS
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Tags:17969-20-9 Molecular Formula|17969-20-9 MDL|17969-20-9 SMILES|17969-20-9 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid |Halogenated_Heterocycles