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Home Other Building Blocks 4185-00-6
4185-00-6
Catalog No.:AA00C96Q

4185-00-6 | 7a-Hydroxy-3-oxo-5b-cholanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$125.00   $87.00
- +
10mg
≥95%
in stock  
$199.00   $139.00
- +
25mg
≥95%
in stock  
$435.00   $304.00
- +
50mg
≥95%
in stock  
$683.00   $478.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00C96Q
Chemical Name:
7a-Hydroxy-3-oxo-5b-cholanoic acid
CAS Number:
4185-00-6
Molecular Formula:
C24H38O4
Molecular Weight:
390.5561
SMILES:
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CCC(=O)C2)C
Properties
Computed Properties
 
Complexity:
645  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
4.5  

Literature

Title: Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.

Journal: Journal of medicinal chemistry 20080327

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SDS
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Tags:4185-00-6 Molecular Formula|4185-00-6 MDL|4185-00-6 SMILES|4185-00-6 7a-Hydroxy-3-oxo-5b-cholanoic acid