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CIL62

CAT: 0931-T8468-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T8468-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117593-36-9
Target
Others, Caspase, Necroptosis
Related Pathways
Others, Apoptosis, Proteases/Proteasome
Purity
0.9774
Bioactivity
CIL62 is a Necrostatin-1 dependent inducer of cell death through a caspase-3/7-independent mechanism [1].
Smiles
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1
Molecular Formula
C23H26O5
Molecular Weight
382.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CAS Number117593-36-9
PubChem CID991372
IUPAC Name9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Molecular FormulaC23H26O5
Molecular Weight382.4
XLogP3.3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity733
SMILES
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C
InChI
InChI=1S/C23H26O5/c1-22(2)8-15(26)20-17(10-22)28-18-11-23(3,4)9-16(27)21(18)19(20)13-6-5-12(24)7-14(13)25/h5-7,19,24-25H,8-11H2,1-4H3
InChIKey
OKXVTYXMGOFJFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CAS: 117593-36-9
CID: 991372
Formula: C23H26O5
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass382.17802393
Monoisotopic Mass382.17802393
Topological Polar Surface Area83.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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