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TS-24

CAT: 0127-BUP05540-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05540-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1563260-97-8
Synonyms
TS24, TS 24
Purity
=98%
Smiles
O=C(C=CC1=CN(C=2C=CC=CC12)C)C=3OC=4C=CC=CC4C3

Chemical Information

1-(2-Benzofuranyl)-3-(1-methyl-1H-indol-3-yl)-2-propen-1-one
CAS Number1563260-97-8
PubChem CID82639575
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-(1-methylindol-3-yl)prop-2-en-1-one
Molecular FormulaC20H15NO2
Molecular Weight301.3
XLogP4.5
Topological Polar Surface Area35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity474
SMILES
CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C20H15NO2/c1-21-13-15(16-7-3-4-8-17(16)21)10-11-18(22)20-12-14-6-2-5-9-19(14)23-20/h2-13H,1H3/b11-10+
InChIKey
XJDLZSTZQYVHKL-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Benzofuranyl)-3-(1-methyl-1H-indol-3-yl)-2-propen-1-one
CAS: 1563260-97-8
CID: 82639575
Formula: C20H15NO2
MW: 301.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass301.110278721
Monoisotopic Mass301.110278721
Topological Polar Surface Area35.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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GTR19232127-01TS-24
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sc-33679TS (TS 106)
4041700/10CTS stem, TS root and TS leaf
4041700/10DTS tranchea, TS bronchus and TS bronicles
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4041000/22CTS artery and TS vein

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