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Benvitimod

CAS No.:
79338-84-4
Catalog Number:
AG00G847
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$362
- +
250mg
95%
1 week
United States
$492
- +
1g
95%
1 week
United States
$1174
- +
5g
95%
1 week
United States
$3445
- +
Product Description
Catalog Number:
AG00G847
Chemical Name:
Benvitimod
CAS Number:
79338-84-4
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD13193203
IUPAC Name:
5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
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+
InChI Key:
ZISJNXNHJRQYJO-CMDGGOBGSA-N
SMILES:
CC(c1c(O)cc(cc1O)/C=C/c1ccccc1)C
UNII:
84HW7D0V04
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans. The Journal of investigative dermatology 20171001
Efficacy and safety of topical WBI-1001 in patients with mild to moderate psoriasis: results from a randomized double-blind placebo-controlled, phase II trial. Journal of the European Academy of Dermatology and Venereology : JEADV 20121201
The preparation of 3,5-dihydroxy-4-isopropylstilbene nanoemulsion and in vitro release. International journal of nanomedicine 20110101
A metabolic switch is involved in lifestyle decisions in Photorhabdus luminescens. Molecular microbiology 20100901
Nematicidal activity of anion transport blockers against Meloidogyne incognita, Caenorhabditis elegans and Heterorhabditis bacteriophora. Pest management science 20080601
Properties