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STF-31

CAS No.:
724741-75-7
Catalog Number:
AG00FC1V
Molecular Formula:
C23H25N3O3S
Molecular Weight:
423.5279
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$190
- +
10mg
96%
1 week
United States
$240
- +
50mg
96%
1 week
United States
$790
- +
Product Description
Catalog Number:
AG00FC1V
Chemical Name:
STF-31
CAS Number:
724741-75-7
Molecular Formula:
C23H25N3O3S
Molecular Weight:
423.5279
MDL Number:
MFCD04153828
IUPAC Name:
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
InChI:
InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
InChI Key:
NGQPRVWTFNBUHA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)C(C)(C)C)Nc1cccnc1
Properties
Complexity:
652  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.162g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
423.531g/mol
Monoisotopic Mass:
423.162g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties