52807-12-2,MFCD08063662
Catalog No.:AA00DDDQ

52807-12-2 | 4'-hydroxyflurbiprofen

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$116.00   $81.00
- +
5mg
≥95%
in stock  
$509.00   $356.00
- +
10mg
≥95%
in stock  
$903.00   $632.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DDDQ
Chemical Name:
4'-hydroxyflurbiprofen
CAS Number:
52807-12-2
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD08063662
SMILES:
OC(=O)C(c1ccc(c(c1)F)c1ccc(cc1)O)C
Properties
Computed Properties
 
Complexity:
313  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Literature

Title: Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.

Journal: Journal of computer-aided molecular design 20100501

Title: CYP2D6-CYP2C9 protein-protein interactions and isoform-selective effects on substrate binding and catalysis.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090801

Title: Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion.

Journal: Journal of medicinal chemistry 20050908

Title: Differences in flurbiprofen pharmacokinetics between CYP2C9*1/*1, *1/*2, and *1/*3 genotypes.

Journal: European journal of clinical pharmacology 20030401

Title: Minimal in vivo activation of CYP2C9-mediated flurbiprofen metabolism by dapsone.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20010801

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SDS
Historical Records
Tags:52807-12-2 Molecular Formula|52807-12-2 MDL|52807-12-2 SMILES|52807-12-2 4'-hydroxyflurbiprofen
Catalog No.: AA00DDDQ
52807-12-2,MFCD08063662
52807-12-2 | 4'-hydroxyflurbiprofen
Pack Size: 1mg
Purity: ≥95%
in stock
$116.00 $81.00
Pack Size: 5mg
Purity: ≥95%
in stock
$509.00 $356.00
Pack Size: 10mg
Purity: ≥95%
in stock
$903.00 $632.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DDDQ
Chemical Name: 4'-hydroxyflurbiprofen
CAS Number: 52807-12-2
Molecular Formula: C15H13FO3
Molecular Weight: 260.2603
MDL Number: MFCD08063662
SMILES: OC(=O)C(c1ccc(c(c1)F)c1ccc(cc1)O)C
Properties
Complexity: 313  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Literature fold

Title: Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.

Journal: Journal of computer-aided molecular design20100501

Title: CYP2D6-CYP2C9 protein-protein interactions and isoform-selective effects on substrate binding and catalysis.

Journal: Drug metabolism and disposition: the biological fate of chemicals20090801

Title: Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion.

Journal: Journal of medicinal chemistry20050908

Title: Differences in flurbiprofen pharmacokinetics between CYP2C9*1/*1, *1/*2, and *1/*3 genotypes.

Journal: European journal of clinical pharmacology20030401

Title: Minimal in vivo activation of CYP2C9-mediated flurbiprofen metabolism by dapsone.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences20010801

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