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Home Carbonyls 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid

4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid

CAS No.:
153559-46-7
Catalog Number:
AG003A9K
Molecular Formula:
C23H26O3
Molecular Weight:
350.4507
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$237
- +
Product Description
Catalog Number:
AG003A9K
Chemical Name:
4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
CAS Number:
153559-46-7
Molecular Formula:
C23H26O3
Molecular Weight:
350.4507
MDL Number:
MFCD13191327
IUPAC Name:
4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
InChI:
InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
InChI Key:
QADGBOQVBUXZKO-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1C(=O)c1ccc(cc1)C(=O)O)C(C)(C)CCC2(C)C
Properties
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.188g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.458g/mol
Monoisotopic Mass:
350.188g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Literature
Title Journal
Modeling, synthesis and biological evaluation of potential retinoid X receptor (RXR) selective agonists: novel analogues of 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (bexarotene). Journal of medicinal chemistry 20091008
Synthesis of retinoid X receptor-specific ligands that are potent inducers of adipogenesis in 3T3-L1 cells. Journal of medicinal chemistry 19990225
Synthesis and structure-activity relationships of novel retinoid X receptor-selective retinoids. Journal of medicinal chemistry 19940902
Properties