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IsoCA-4

CAT: 0931-T60823-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T60823-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1067880-31-2
Target
Microtubule Associated, Others
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
IsoCA-4 is a Combretastatin A4 derivative. isoCA-4 is a tubulin polymerization inhibitor with anti-proliferative activities [1].
Smiles
C(=C)(C1=CC(OC)=C(OC)C(OC)=C1)C2=CC(O)=C(OC)C=C2
Molecular Formula
C18H20O5
Molecular Weight
316.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isocombretastatin A4
CAS Number1067880-31-2
PubChem CID24996163
IUPAC Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Molecular FormulaC18H20O5
Molecular Weight316.3
XLogP4.1
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity372
SMILES
COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C18H20O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10,19H,1H2,2-5H3
InChIKey
CNGKIRSNRQSORA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocombretastatin A4
CAS: 1067880-31-2
CID: 24996163
Formula: C18H20O5
MW: 316.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass316.13107373
Monoisotopic Mass316.13107373
Topological Polar Surface Area57.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity372
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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Alternative Products

CatalogName
MBS5803543isoCA-4
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
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PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
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