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(E/Z) -Tapinarof

CAT: 0013-GTR19256151-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256151-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E/Z) -Tapinarof ((E/Z) -WBI-1001) is a broad-spectrum antibiotic with antibacterial, antifungal, and anthelmintic activity.
CAS Number
115781-08-3
Field of Research
Infectious Disease & Virology
Smiles
OC1=CC (C=CC=2C=CC=CC2) =CC (O) =C1C (C) C
Molecular Formula
C17H18O2
Molecular Weight
254.324
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Isopropyl-5-(2-phenylethenyl)benzene-1,3-diol
CAS Number115781-08-3
PubChem CID133191
IUPAC Name5-(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=CC2=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
InChIKey
ZISJNXNHJRQYJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropyl-5-(2-phenylethenyl)benzene-1,3-diol
CAS: 115781-08-3
CID: 133191
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 Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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