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BFE-55

CAT: 0013-GTR19198106-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198106-01Size:25 mg
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Description
BFE-55 is a befunolol derivative and a beta-adrenergic partial agonist that selectively binds to the high-affinity state of beta-adrenoceptors. It is a valuable research tool for investigating receptor states and partial agonism in cardiovascular and pharmacological studies, both in vitro and in vivo.
CAS Number
21151-91-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CC (CNC (C) C) O) C1=C2C (C=CO2) =CC=C1
Molecular Formula
C14H19NO3
Molecular Weight
249.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bfe 55

befunolol derivative; structure given in first source

CAS Number21151-91-7
PubChem CID3082184
IUPAC Name1-(1-benzofuran-7-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC14H19NO3
Molecular Weight249.30
XLogP2
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity247
SMILES
CC(C)NCC(COC1=CC=CC2=C1OC=C2)O
InChI
InChI=1S/C14H19NO3/c1-10(2)15-8-12(16)9-18-13-5-3-4-11-6-7-17-14(11)13/h3-7,10,12,15-16H,8-9H2,1-2H3
InChIKey
JSBPDRDKVNCRIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bfe 55
CAS: 21151-91-7
CID: 3082184
Formula: C14H19NO3
MW: 249.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.30
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass249.13649347
Monoisotopic Mass249.13649347
Topological Polar Surface Area54.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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