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C-333H

CAT: 0931-T25198-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25198-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870095-15-1
Target
Others, PPAR
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
C-333H is a new PPARalpha/gamma dual agonist.
Smiles
C(COC1=CC=C(C[C@H](NC(C=CC2=CC=CO2)=O)C(O)=O)C=C1)C=3N=C(OC3C)C4=CC=CC=C4
Molecular Formula
C28H26N2O6
Molecular Weight
486.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Tyrosine, N-(3-(2-furanyl)-1-oxo-2-propenyl)-O-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-
CAS Number870095-15-1
PubChem CID57459823
IUPAC Name(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
Molecular FormulaC28H26N2O6
Molecular Weight486.5
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity732
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C28H26N2O6/c1-19-24(30-27(36-19)21-6-3-2-4-7-21)15-17-35-23-11-9-20(10-12-23)18-25(28(32)33)29-26(31)14-13-22-8-5-16-34-22/h2-14,16,25H,15,17-18H2,1H3,(H,29,31)(H,32,33)/b14-13+/t25-/m0/s1
InChIKey
YHBKSRJCMFFFMB-AAJFVQQISA-N
Chemical Structure
2D Structure
2D structure of L-Tyrosine, N-(3-(2-furanyl)-1-oxo-2-propenyl)-O-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-
CAS: 870095-15-1
CID: 57459823
Formula: C28H26N2O6
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass486.17908655
Monoisotopic Mass486.17908655
Topological Polar Surface Area115 Ų
Heavy Atom Count36
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes