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Home Other Building Blocks BAY 59-3074

BAY 59-3074

CAS No.:
406205-74-1
Catalog Number:
AG00C6KW
Molecular Formula:
C18H13F6NO4S
Molecular Weight:
453.3555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$101
- +
5mg
98%
1 week
United States
$173
- +
10mg
98%
1 week
United States
$240
- +
25mg
98%
1 week
United States
$423
- +
50mg
98%
1 week
United States
$707
- +
100mg
98%
1 week
United States
$1173
- +
Product Description
Catalog Number:
AG00C6KW
Chemical Name:
BAY 59-3074
CAS Number:
406205-74-1
Molecular Formula:
C18H13F6NO4S
Molecular Weight:
453.3555
MDL Number:
MFCD09027365
IUPAC Name:
[3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate
InChI:
InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
InChI Key:
LWUSZIVDPJPVBW-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
UNII:
5FO5Z101GU
Properties
Complexity:
709  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.047g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.355g/mol
Monoisotopic Mass:
453.047g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Conformationally constrained analogs of BAY 59-3074 as novel cannabinoid receptor ligands. Bioorganic & medicinal chemistry letters 20111001
Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. European journal of medicinal chemistry 20110201
Discriminative stimulus effects of the structurally novel cannabinoid CB1/CB2 receptor partial agonist BAY 59-3074 in the rat. European journal of pharmacology 20041128
Demonstration of a nonadrenergic inhibitory nervous system in the trachea of the guinea pig. The Journal of allergy and clinical immunology 19751201
Properties