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SU-740

CAT: 0013-GTR19258515-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258515-02Size:10 mg
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Description
SU-740 is a chalcone derivative with anti-ulcer activity.
CAS Number
134336-72-4
Smiles
O=C (O) COC1=CC (OCC=C (C) C) =CC=C1C (=O) C=CC2=CC=C (C=C2) C (C) (C) C
Molecular Formula
C26H30O5
Molecular Weight
422.513
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acetic acid, (2-(3-(4-(1,1-dimethylethyl)phenyl)-1-oxo-2-propenyl)-5-((3-methyl-2-butenyl)oxy)phenoxy)-
CAS Number134336-72-4
PubChem CID6442365
IUPAC Name2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
Molecular FormulaC26H30O5
Molecular Weight422.5
XLogP6.4
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)OCC(=O)O)C
InChI
InChI=1S/C26H30O5/c1-18(2)14-15-30-21-11-12-22(24(16-21)31-17-25(28)29)23(27)13-8-19-6-9-20(10-7-19)26(3,4)5/h6-14,16H,15,17H2,1-5H3,(H,28,29)/b13-8+
InChIKey
ANQKJBMYDIXLBL-MDWZMJQESA-N
Chemical Structure
2D Structure
2D structure of Acetic acid, (2-(3-(4-(1,1-dimethylethyl)phenyl)-1-oxo-2-propenyl)-5-((3-methyl-2-butenyl)oxy)phenoxy)-
CAS: 134336-72-4
CID: 6442365
Formula: C26H30O5
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass422.20932405
Monoisotopic Mass422.20932405
Topological Polar Surface Area72.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
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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HY-171448SU-740
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