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MG28

CAT: 0931-T200946-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200946-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2659360-91-3
Target
Apoptosis
Related Pathways
Apoptosis
Bioactivity
MG28 exhibits significant cytotoxic effects, likely stemming from its direct and potent DNA-damaging activity. The compound is utilized in cancer research.
Smiles
O=C1C=CC=2C(OC=3C=C(OCCCCCCN=C=S)C=CC3C2C=4C=CC=CC4C)=C1
Molecular Formula
C27H25NO3S
Molecular Weight
443.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(6-Isothiocyanatohexoxy)-9-(2-methylphenyl)xanthen-3-one
CAS Number2659360-91-3
PubChem CID172652622
IUPAC Name6-(6-isothiocyanatohexoxy)-9-(2-methylphenyl)xanthen-3-one
Molecular FormulaC27H25NO3S
Molecular Weight443.6
XLogP6.4
Topological Polar Surface Area80
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity823
SMILES
CC1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCCCCCCN=C=S
InChI
InChI=1S/C27H25NO3S/c1-19-8-4-5-9-22(19)27-23-12-10-20(29)16-25(23)31-26-17-21(11-13-24(26)27)30-15-7-3-2-6-14-28-18-32/h4-5,8-13,16-17H,2-3,6-7,14-15H2,1H3
InChIKey
CETVMQKWZDPDDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(6-Isothiocyanatohexoxy)-9-(2-methylphenyl)xanthen-3-one
CAS: 2659360-91-3
CID: 172652622
Formula: C27H25NO3S
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass443.15551483
Monoisotopic Mass443.15551483
Topological Polar Surface Area80 Ų
Heavy Atom Count32
Formal Charge0
Complexity823
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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