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1159576-98-3,MFCD18382112
Catalog No.:AA008SOL

1159576-98-3 | CAY10606

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$89.00   $62.00
- +
5mg
≥98%
in stock  
$386.00   $270.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008SOL
Chemical Name:
CAY10606
CAS Number:
1159576-98-3
Molecular Formula:
C22H18ClNO3
Molecular Weight:
379.8362
MDL Number:
MFCD18382112
SMILES:
CCOC(=O)c1c(Cc2cccc(c2)Cl)[nH]c2c1cc(O)c1c2cccc1
Properties
Computed Properties
 
Complexity:
530  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.7  

Literature

Title: Discovery of benzo[g]indol-3-carboxylates as potent inhibitors of microsomal prostaglandin E(2) synthase-1.

Journal: Bioorganic & medicinal chemistry 20091201

Title: Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase.

Journal: Journal of medicinal chemistry 20090611

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SDS
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Tags:1159576-98-3 Molecular Formula|1159576-98-3 MDL|1159576-98-3 SMILES|1159576-98-3 CAY10606
Catalog No.: AA008SOL
1159576-98-3,MFCD18382112
1159576-98-3 | CAY10606
Pack Size： 1mg
Purity： ≥98%
in stock
$89.00 $62.00
Pack Size： 5mg
Purity： ≥98%
in stock
$386.00 $270.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008SOL
Chemical Name: CAY10606
CAS Number: 1159576-98-3
Molecular Formula: C22H18ClNO3
Molecular Weight: 379.8362
MDL Number: MFCD18382112
SMILES: CCOC(=O)c1c(Cc2cccc(c2)Cl)[nH]c2c1cc(O)c1c2cccc1
Properties
Complexity: 530  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.7  
Literature fold

Title: Discovery of benzo[g]indol-3-carboxylates as potent inhibitors of microsomal prostaglandin E(2) synthase-1.

Journal: Bioorganic & medicinal chemistry20091201

Title: Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase.

Journal: Journal of medicinal chemistry20090611

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