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Benvitimod

CAT: 1410-M15975-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M15975-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A natural aryl hydrocarbon receptor (AhR) agonist with anti-inflammatory properties.
CAS Number
79338-84-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
254.329
Molecular Formula
C17H18O2
Notes
Research use only, not for human use.
Receptor
AhR

Chemical Information

Tapinarof

Benvitimod is a stilbenoid.

CAS Number79338-84-4
PubChem CID6439522
IUPAC Name5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
Molecular FormulaC17H18O2
Molecular Weight254.32
XLogP4.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CC(C)C1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKey
ZISJNXNHJRQYJO-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of Tapinarof
CAS: 79338-84-4
CID: 6439522
Formula: C17H18O2
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass254.130679813
Monoisotopic Mass254.130679813
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-B05727-01Benvitimod Benzoic Acid Analog
AR-B05728-01Benvitimod 4-methyl Impurity (E Isomer)

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