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1198085-23-2,MFCD26936343
Catalog No.:AA0097D8

1198085-23-2 | PX 20350

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0097D8
Chemical Name:
PX 20350
CAS Number:
1198085-23-2
Molecular Formula:
C28H22Cl2F3N3O4
Molecular Weight:
592.3932
MDL Number:
MFCD26936343
SMILES:
CN(CC1=CC=C(C=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F
Properties
Computed Properties
 
Complexity:
851  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6.7  

Literature

Title: Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists.

Journal: Bioorganic & medicinal chemistry letters 20100815

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SDS
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Tags:1198085-23-2 Molecular Formula|1198085-23-2 MDL|1198085-23-2 SMILES|1198085-23-2 PX 20350
Catalog No.: AA0097D8
1198085-23-2,MFCD26936343
1198085-23-2 | PX 20350
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA0097D8
Chemical Name: PX 20350
CAS Number: 1198085-23-2
Molecular Formula: C28H22Cl2F3N3O4
Molecular Weight: 592.3932
MDL Number: MFCD26936343
SMILES: CN(CC1=CC=C(C=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F
Properties
Complexity: 851  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 40  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6.7  
Literature fold

Title: Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists.

Journal: Bioorganic & medicinal chemistry letters20100815

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