Products for Research Use Only
RegisterLogin

4,9-Dimethoxycanthin-6-one

CAT: 0931-TN3020-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN3020-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1270001-72-3
Target
Others
Related Pathways
Others
Bioactivity
4,9-Dimethoxycanthin-6-one is a natural product from Ailanthus altissima.
Smiles
O=C1C=C(OC)C2=NC=CC=3C4=CC=C(OC)C=C4N1C23
Molecular Formula
C16H12N2O3
Molecular Weight
280.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,9-Dimethoxycanthin-6-one
CAS Number1270001-72-3
PubChem CID102004796
IUPAC Name4,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC16H12N2O3
Molecular Weight280.28
XLogP2.1
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity478
SMILES
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=C(C4=NC=C3)OC
InChI
InChI=1S/C16H12N2O3/c1-20-9-3-4-10-11-5-6-17-15-13(21-2)8-14(19)18(16(11)15)12(10)7-9/h3-8H,1-2H3
InChIKey
WBMNWMYQWQQWHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,9-Dimethoxycanthin-6-one
CAS: 1270001-72-3
CID: 102004796
Formula: C16H12N2O3
MW: 280.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.28
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass280.08479225
Monoisotopic Mass280.08479225
Topological Polar Surface Area53.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity478
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

Related Products

CatalogName
TN33079,10-Dimethoxycanthin-6-one
TN3013-014,5-Dimethoxycanthin-6-one
T4601-019-Methoxycanthin-6-one
TN33199-Hydroxycanthin-6-one
TN3322-019-Methoxycanthin-6-one-N-oxide
TN2537-011-Hydroxy-9-medroxycanthin-6-one
TN8296-01Canthin-6-one 9-O-galactoside
TNU0909-011,9-Dihydro-9-methyl-6H-purin-6-one
TN8198-014-Methylthiocanthin-6-one
TN11120-014-Hydroxycanthin-6-one

Alternative Products

CatalogName
3792304,9-Dimethoxycanthin-6-one
FGA86151-019,10-Dimethoxycanthin-6-one
3792234,5-Dimethoxycanthin-6-one
WAA31404-019- (4-Methoxyphenyl) -6,9-dihydro-1H-purin-6-one
FJB39857-016-Oxaspiro[4.5]decan-9-one
NFA54491-019-Hydroxycanthin-6-one
BUP04283-019-Methoxycanthin-6-one

Popular Products