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401629-43-4,MFCD00449648
Catalog No.:AA00C61B

401629-43-4 | 4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
- +
5g
95%
in stock  
$161.00   $113.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C61B
Chemical Name:
4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid
CAS Number:
401629-43-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00449648
SMILES:
CCc1ccccc1NC(=O)CCC(=O)O
Properties
Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:401629-43-4 Molecular Formula|401629-43-4 MDL|401629-43-4 SMILES|401629-43-4 4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid
Catalog No.: AA00C61B
401629-43-4,MFCD00449648
401629-43-4 | 4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid
Pack Size： 1g
Purity： 95%
in stock
$40.00 $28.00
Pack Size： 5g
Purity： 95%
in stock
$161.00 $113.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C61B
Chemical Name: 4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid
CAS Number: 401629-43-4
Molecular Formula: C12H15NO3
Molecular Weight: 221.2524
MDL Number: MFCD00449648
SMILES: CCc1ccccc1NC(=O)CCC(=O)O
Properties
Complexity: 253  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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