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Home Other Building Blocks 1991-52-2
1991-52-2,MFCD00274238
Catalog No.:AA002BTM

1991-52-2 | Phenol, 2,5-bis(1,1-dimethylethyl)-4-methoxy-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$79.00   $55.00
- +
5g
97%
in stock  
$203.00   $142.00
- +
25g
97%
in stock  
$643.00   $450.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA002BTM
Chemical Name:
Phenol, 2,5-bis(1,1-dimethylethyl)-4-methoxy-
CAS Number:
1991-52-2
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
MDL Number:
MFCD00274238
SMILES:
COc1cc(c(cc1C(C)(C)C)O)C(C)(C)C
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.9  

Literature

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

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:1991-52-2 Molecular Formula|1991-52-2 MDL|1991-52-2 SMILES|1991-52-2 Phenol, 2,5-bis(1,1-dimethylethyl)-4-methoxy-