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Home Other Building Blocks 1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-

1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-

CAS No.:
1160247-92-6
Catalog Number:
AG000BF3
Molecular Formula:
C17H12F3NO4
Molecular Weight:
351.2767
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$251
- +
25mg
99%
1 week
United States
$446
- +
50mg
99%
1 week
United States
$598
- +
100mg
99%
1 week
United States
$1015
- +
Product Description
Catalog Number:
AG000BF3
Chemical Name:
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
CAS Number:
1160247-92-6
Molecular Formula:
C17H12F3NO4
Molecular Weight:
351.2767
MDL Number:
MFCD16618396
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
InChI:
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChI Key:
CKLGZXFOLMHCMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.072g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.281g/mol
Monoisotopic Mass:
351.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins. Journal of medicinal chemistry 20090611
Properties