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5669-16-9,MFCD01722150
Catalog No.:AA00EIFI

5669-16-9 | 2-Benzylbutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$286.00   $200.00
- +
100mg
95%
3 weeks  
$368.00   $258.00
- +
250mg
95%
3 weeks  
$477.00   $334.00
- +
500mg
95%
3 weeks  
$684.00   $479.00
- +
1g
95%
3 weeks  
$845.00   $592.00
- +
2.5g
95%
3 weeks  
$1,595.00   $1,117.00
- +
5g
95%
3 weeks  
$1,990.00   $1,393.00
- +
10g
95%
3 weeks  
$2,477.00   $1,734.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EIFI
Chemical Name:
2-Benzylbutanoic acid
CAS Number:
5669-16-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD01722150
SMILES:
CCC(C(=O)O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: Structure-based design, synthesis, and nonalcoholic steatohepatitis (NASH)-preventive effect of phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists.

Journal: Bioorganic & medicinal chemistry 20110515

Title: Design and synthesis of substituted phenylpropanoic acid derivatives as human peroxisome proliferator-activated receptor alpha/delta dual agonists.

Journal: Bioorganic & medicinal chemistry letters 20060201

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SDS
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Tags:5669-16-9 Molecular Formula|5669-16-9 MDL|5669-16-9 SMILES|5669-16-9 2-Benzylbutanoic acid
Catalog No.: AA00EIFI
5669-16-9,MFCD01722150
5669-16-9 | 2-Benzylbutanoic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$286.00 $200.00
Pack Size： 100mg
Purity： 95%
3 weeks
$368.00 $258.00
Pack Size： 250mg
Purity： 95%
3 weeks
$477.00 $334.00
Pack Size： 500mg
Purity： 95%
3 weeks
$684.00 $479.00
Pack Size： 1g
Purity： 95%
3 weeks
$845.00 $592.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$1,595.00 $1,117.00
Pack Size： 5g
Purity： 95%
3 weeks
$1,990.00 $1,393.00
Pack Size： 10g
Purity： 95%
3 weeks
$2,477.00 $1,734.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EIFI
Chemical Name: 2-Benzylbutanoic acid
CAS Number: 5669-16-9
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
MDL Number: MFCD01722150
SMILES: CCC(C(=O)O)Cc1ccccc1
Properties
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Literature fold

Title: Structure-based design, synthesis, and nonalcoholic steatohepatitis (NASH)-preventive effect of phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists.

Journal: Bioorganic & medicinal chemistry20110515

Title: Design and synthesis of substituted phenylpropanoic acid derivatives as human peroxisome proliferator-activated receptor alpha/delta dual agonists.

Journal: Bioorganic & medicinal chemistry letters20060201

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