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Bay 59-3074

CAT: 1568-C15962Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C15962Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
406205-74-1
SKU
C15962-25mg
Target
Cannabinoid Receptor
Applications
Neuronal Signaling
Smiles
C1=CC (=CC (=C1) OS (=O) (=O) CCCC (F) (F) F) OC2=CC=CC (=C2C#N) C (F) (F) F
Molecular Formula
C18H13F6NO4S
Additionnal Information
Bay 59-3074 is a selective cannabinoid CB1/CB2 receptor partial agonist with Ki of 55.4 nM, 48.3 nM and 45.5 nM at rat and human CB1 and human CB2 receptors, respectively. Bay 59-3074 displays analgesic properties.
Storage Conditions
3 years -20°C powder

Chemical Information

3-(2-Cyano-3-(trifluoromethyl)phenoxy)phenyl-4,4,4-trifluoro-1-butanesulfonate

4,4,4-trifluoro-1-butanesulfonic acid is an aromatic ether.

CAS Number406205-74-1
PubChem CID10479060
IUPAC Name[3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonate
Molecular FormulaC18H13F6NO4S
Molecular Weight453.4
XLogP5.4
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity709
SMILES
C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)F
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
InChIKey
LWUSZIVDPJPVBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Cyano-3-(trifluoromethyl)phenoxy)phenyl-4,4,4-trifluoro-1-butanesulfonate
CAS: 406205-74-1
CID: 10479060
Formula: C18H13F6NO4S
MW: 453.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass453.04694804
Monoisotopic Mass453.04694804
Topological Polar Surface Area84.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T3699-01Bay 59-3074
MBS131415BAY-59-3074
A16328-50Bay 59-3074 50mg
A16328-25Bay 59-3074 25mg
A16328-200Bay 59-3074 200mg
A16328-100Bay 59-3074 100mg
A16328-10Bay 59-3074 10mg
A16328-5Bay 59-3074 5mg
A16328-10mM-DBay 59-3074 10mM * 1mL in DMSO
MPH01323hsa-miR-3074 Primers

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