Benvitimod

CAT: 0926-FD167852-04Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FD167852-04Size:0.5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

79338-84-4

Synonyms

3,5-Dihydroxy-4-isopropyl-trans-stilbene; Tapinarof

MDL Number

MFCD13193203

Smiles

CC (C) C1=C (C=C (C=C1O) /C=C/C2=CC=CC=C2) O

Molecular Formula

C17H18O2

Molecular Weight

254.32 g/mol

Controlled

Chemical Information

Tapinarof

Benvitimod is a stilbenoid.

CAS Number	79338-84-4
PubChem CID	6439522
IUPAC Name	5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
Molecular Formula	C17H18O2
Molecular Weight	254.32
XLogP	4.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	280

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

CAS: 79338-84-4

CID: 6439522

Formula: C17H18O2

MW: 254.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.32
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	254.130679813
Monoisotopic Mass	254.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	280
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
RM-B053100-01	Benvitimod
AR-B01191-01	Cis-Benvitimod
AR-B06272-01	Benvitimod-d5
RM-B053101-01	Benvitimod Impurity 1
RM-B053102-01	Benvitimod Impurity 2
AR-B05727-01	Benvitimod Benzoic Acid Analog
AR-B05728-01	Benvitimod 4-methyl Impurity (E Isomer)