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177545-13-0,MFCD02186431
Catalog No.:AA0025B7

177545-13-0 | 5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
500mg
>95%
1 week  
$314.00   $220.00
- +
1g
>95%
1 week  
$353.00   $247.00
- +
5g
>95%
1 week  
$838.00   $587.00
- +
10g
>95%
1 week  
$1,321.00   $925.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0025B7
Chemical Name:
5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS Number:
177545-13-0
Molecular Formula:
C6H7F3N2
Molecular Weight:
164.1284
MDL Number:
MFCD02186431
SMILES:
FC(C1=NCCNC=C1)(F)F
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route
31301-45-8    177545-13-0   
3,5-dimethylisoxazol-4-yl-(5-trifluoromethyl-2,3-dihydro-1,4diazepin-1-yl)methanone 

[1]Siu,Jason;Baxendale,IanR.;Lewthwaite,RussellA.;Ley,StevenV.[OrganicandBiomolecularChemistry,2005,vol.3,#17,p.3140-3160]

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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Tags:177545-13-0 Molecular Formula|177545-13-0 MDL|177545-13-0 SMILES|177545-13-0 5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Catalog No.: AA0025B7
177545-13-0,MFCD02186431
177545-13-0 | 5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Pack Size： 1mg
Purity： >95%
1 week
$299.00 $209.00
Pack Size： 500mg
Purity： >95%
1 week
$314.00 $220.00
Pack Size： 1g
Purity： >95%
1 week
$353.00 $247.00
Pack Size： 5g
Purity： >95%
1 week
$838.00 $587.00
Pack Size： 10g
Purity： >95%
1 week
$1,321.00 $925.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0025B7
Chemical Name: 5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS Number: 177545-13-0
Molecular Formula: C6H7F3N2
Molecular Weight: 164.1284
MDL Number: MFCD02186431
SMILES: FC(C1=NCCNC=C1)(F)F
Properties
Complexity: 193  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
31301-45-8    177545-13-0   
3,5-dimethylisoxazol-4-yl-(5-trifluoromethyl-2,3-dihydro-1,4diazepin-1-yl)methanone 

[1]Siu,Jason;Baxendale,IanR.;Lewthwaite,RussellA.;Ley,StevenV.[OrganicandBiomolecularChemistry,2005,vol.3,#17,p.3140-3160]

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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