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Ac-55649

CAS No.:
59662-49-6
Catalog Number:
AG00EB4D
Molecular Formula:
C21H26O2
Molecular Weight:
310.4299
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$307
- +
25mg
99%
1 week
United States
$585
- +
Product Description
Catalog Number:
AG00EB4D
Chemical Name:
Ac-55649
CAS Number:
59662-49-6
Molecular Formula:
C21H26O2
Molecular Weight:
310.4299
MDL Number:
MFCD00157040
IUPAC Name:
4-(4-octylphenyl)benzoic acid
InChI:
InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
InChI Key:
HXBKPYIEQLLNBK-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.193g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.437g/mol
Monoisotopic Mass:
310.193g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  
Literature
Title Journal
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands. Journal of medicinal chemistry 20090326
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist. Journal of medicinal chemistry 20051201
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. The Journal of biological chemistry 20020419
Properties