Dimethoxy Tapinarof

CAT: 1596-AR-B06273-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06273-02Size:25 Units

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CAS Number

141509-20-8

Synonyms

(E) -2-Isopropyl-1,3-dimethoxy-5-styrylbenzene

Molecular Formula

C19H22O2

Molecular Weight

282.38

API Name

Benvitimod

Chemical Information

3,5-Dimethoxy-4-isopropyl-trans-stilbene

CAS Number	141509-20-8
PubChem CID	11369564
IUPAC Name	1,3-dimethoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene
Molecular Formula	C19H22O2
Molecular Weight	282.4
XLogP	5.3
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	304

SMILES

CC(C)C1=C(C=C(C=C1OC)/C=C/C2=CC=CC=C2)OC

InChI

InChI=1S/C19H22O2/c1-14(2)19-17(20-3)12-16(13-18(19)21-4)11-10-15-8-6-5-7-9-15/h5-14H,1-4H3/b11-10+

InChIKey

FXVZTPXCRKMNJO-ZHACJKMWSA-N

Chemical Structure

2D Structure

CAS: 141509-20-8

CID: 11369564

Formula: C19H22O2

MW: 282.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.4
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	282.161979940
Monoisotopic Mass	282.161979940
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	304
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B07888-01	Tapinarof Impurity 2
AR-E08804-01	Dimethoxy Empagliflozin
AR-D06021-01	Dimethoxy Dapagliflozin
AR-A08040-01	Apremilast Dimethoxy Analog
AR-D06112-01	Dobutamine Dimethoxy Impurity
AR-C04106-01	Canagliflozin Dimethoxy Impurity
AR-R01068-01	Raloxifene Dimethoxy Impurity
AR-T01063-01	Tadalafil Dimethoxy Impurity
AR-A01275-01	Acotiamide 3,5-dimethoxy
AR-A01274-01	Acotiamide 2,3-dimethoxy