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BFE-61

CAT: 0013-GTR19198105-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198105-01Size:25 mg
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Description
BFE-61 is a beta-adrenoceptor ligand exhibiting partial agonist activity. It is a valuable research tool for investigating adrenergic signaling pathways in both cellular (in vitro) and animal (in vivo) models of cardiovascular and metabolic function.
CAS Number
39543-80-1
Smiles
O (CC (CNC (C) (C) C) O) C1=C2C (C=C (C (C) =O) O2) =CC=C1
Molecular Formula
C17H23NO4
Molecular Weight
305.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(7-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanone

befunolol derivative; structure given in first source

CAS Number39543-80-1
PubChem CID38287
IUPAC Name1-[7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
Molecular FormulaC17H23NO4
Molecular Weight305.4
XLogP2.2
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity379
SMILES
CC(=O)C1=CC2=C(O1)C(=CC=C2)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C17H23NO4/c1-11(19)15-8-12-6-5-7-14(16(12)22-15)21-10-13(20)9-18-17(2,3)4/h5-8,13,18,20H,9-10H2,1-4H3
InChIKey
SRKJBWACUFBLGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(7-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanone
CAS: 39543-80-1
CID: 38287
Formula: C17H23NO4
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass305.16270821
Monoisotopic Mass305.16270821
Topological Polar Surface Area71.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity379
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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