Products for Research Use Only
RegisterLogin

Bexarotene-13C4

CAT: 0024-sc-217754Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-217754Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1185030-01-6

Chemical Information

Bexarotene-13C4
CAS Number1185030-01-6
PubChem CID45038331
IUPAC Name4-[1-[3-methyl-5,5,8,8-tetra((113C)methyl)-6,7-dihydronaphthalen-2-yl]ethenyl](13C4)benzoic acid
Molecular FormulaC24H28O2
Molecular Weight352.4
XLogP7.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity551
SMILES
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3]
InChI
InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)/i3+1,4+1,5+1,6+1
InChIKey
NAVMQTYZDKMPEU-PQVJJBODSA-N
Chemical Structure
2D Structure
2D structure of Bexarotene-13C4
CAS: 1185030-01-6
CID: 45038331
Formula: C24H28O2
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass352.22234947
Monoisotopic Mass352.22234947
Topological Polar Surface Area37.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity551
Isotope Atom Count4
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
sc-217753Bexarotene
sc-217753ABexarotene
sc-353071Bexarotene d4
sc-471290Bexarotene Acyl-β-D-glucuronide
sc-217682Azathioprine-13C4
sc-491422Guanylmelamine-13C4
sc-212359Naphthalene-13C4
sc-504543γ-Butyrolactone-13C4
sc-480876Acetoin-13C4
sc-478071Palovarotene-13C4

Alternative Products

CatalogName
MBS6074630-01Bexarotene-13C4
003931Bexarotene-13C4 Methyl Ester
A8380-50Bexarotene

Popular Products