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AB47859

459789-99-2 | Obetichloic acid

Packsize Purity Availability Price Discounted Price    Quantity
100mg 98% in stock $8.00 $5.00 -   +
250mg 98% in stock $15.00 $10.00 -   +
500mg 98% in stock $26.00 $18.00 -   +
1g 98% in stock $45.00 $31.00 -   +
5g 98% in stock $132.00 $92.00 -   +
10g 98% in stock $226.00 $158.00 -   +

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*All prices are in USD.

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Description
Catalog Number: AB47859
Chemical Name: Obetichloic acid
CAS Number: 459789-99-2
Molecular Formula: C26H44O4
Molecular Weight: 420.6252
MDL Number: MFCD16621104
SMILES: CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCC(=O)O)C

 

Computed Properties
Complexity: 649  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 11  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Rotatable Bond Count: 5  
XLogP3: 5.7  

 

 

Upstream Synthesis Route 
  • Obeticholic acid is a versatile compound widely used in chemical synthesis, particularly in the pharmaceutical industry. Its unique structure and reactivity make it a valuable tool for creating a variety of compounds with potential therapeutic applications.One key application of Obeticholic acid in chemical synthesis is as a building block for the creation of bile acid derivatives. By modifying the structure of Obeticholic acid, chemists can generate a range of analogs with varying biological activities. These derivatives can be explored for their potential as drug candidates for treating liver diseases, metabolic disorders, or other conditions.Additionally, Obeticholic acid can serve as a starting material for the synthesis of novel molecules through its functional groups, such as carboxylic acid and hydroxyl moieties. These groups enable chemists to introduce further modifications, such as esterifications, amidations, or reductions, to tailor the properties of the resulting compounds for specific applications.Overall, the versatility of Obeticholic acid as a building block in chemical synthesis offers researchers the opportunity to explore its potential in creating new pharmaceuticals and understanding the underlying mechanisms of various diseases.
Literature
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