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Alkofanone

CAT: 0013-GTR19195722-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195722-03Size:100 mg
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Description
Alkofanone is a small molecule compound utilized in research models of primary diarrhea. It serves as a biochemical tool for investigating gastrointestinal pathophysiology in both in vitro cellular assays and in vivo animal studies.
CAS Number
7527-94-8
Field of Research
Pharmacology & Drug Discovery
Smiles
Nc1ccc (cc1) S (=O) (=O) C (CC (=O) c1ccccc1) c1ccccc1
Molecular Formula
C21H19NO3S
Molecular Weight
365.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alkofanone

Alkofanone is a member of dihydrochalcones.

CAS Number7527-94-8
PubChem CID24145
IUPAC Name3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
Molecular FormulaC21H19NO3S
Molecular Weight365.4
XLogP3.3
Topological Polar Surface Area85.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity548
SMILES
C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2
InChIKey
VWEMSUCCUQSLME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alkofanone
CAS: 7527-94-8
CID: 24145
Formula: C21H19NO3S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass365.10856464
Monoisotopic Mass365.10856464
Topological Polar Surface Area85.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity548
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

Alternative Products

CatalogName
T29868-01Alkofanone

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