1208313-97-6,MFCD22417094
Catalog No.:AA008TED

1208313-97-6 | Ketone Ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
≥95%
in stock  
$202.00   $141.00
- +
50mg
≥95%
in stock  
$382.00   $267.00
- +
100mg
≥95%
in stock  
$602.00   $421.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008TED
Chemical Name:
Ketone Ester
CAS Number:
1208313-97-6
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
MDL Number:
MFCD22417094
SMILES:
C[C@H](CCOC(=O)C[C@H](O)C)O
Properties
Computed Properties
 
Complexity:
135  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.1  

Literature

Title: Kinetics, safety and tolerability of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate in healthy adult subjects.

Journal: Regulatory toxicology and pharmacology : RTP 20120801

Title: Oral 28-day and developmental toxicity studies of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate.

Journal: Regulatory toxicology and pharmacology : RTP 20120701

Title: Weckx R, et al. Efficacy and safety of ketone ester infusion to prevent muscle weakness in a mouse model of sepsis-induced critical illness. Sci Rep. 2022 Jun 22;12(1):10591.

Title: Williams MS, et al. The Chemistry of the Ketogenic Diet: Updates and Opportunities in Organic Synthesis. Int J Mol Sci. 2021 May 15;22(10):5230.

Title: Clarke K, et al. Kinetics, safety and tolerability of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate in healthy adult subjects. Regul Toxicol Pharmacol. 2012 Aug;63(3):401-8.

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SDS
Tags:1208313-97-6 Molecular Formula|1208313-97-6 MDL|1208313-97-6 SMILES|1208313-97-6 Ketone Ester
Catalog No.: AA008TED
1208313-97-6,MFCD22417094
1208313-97-6 | Ketone Ester
Pack Size: 25mg
Purity: ≥95%
in stock
$202.00 $141.00
Pack Size: 50mg
Purity: ≥95%
in stock
$382.00 $267.00
Pack Size: 100mg
Purity: ≥95%
in stock
$602.00 $421.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008TED
Chemical Name: Ketone Ester
CAS Number: 1208313-97-6
Molecular Formula: C8H16O4
Molecular Weight: 176.2102
MDL Number: MFCD22417094
SMILES: C[C@H](CCOC(=O)C[C@H](O)C)O
Properties
Complexity: 135  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.1  
Literature fold

Title: Kinetics, safety and tolerability of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate in healthy adult subjects.

Journal: Regulatory toxicology and pharmacology : RTP20120801

Title: Oral 28-day and developmental toxicity studies of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate.

Journal: Regulatory toxicology and pharmacology : RTP20120701

Title: Weckx R, et al. Efficacy and safety of ketone ester infusion to prevent muscle weakness in a mouse model of sepsis-induced critical illness. Sci Rep. 2022 Jun 22;12(1):10591.

Title: Williams MS, et al. The Chemistry of the Ketogenic Diet: Updates and Opportunities in Organic Synthesis. Int J Mol Sci. 2021 May 15;22(10):5230.

Title: Clarke K, et al. Kinetics, safety and tolerability of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate in healthy adult subjects. Regul Toxicol Pharmacol. 2012 Aug;63(3):401-8.

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