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AC-55649

CAT: 0013-GTR19244343-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244343-02Size:1 g
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Description
AC-55649 is a potent, highly isoform-selective agonist of human RARβ2receptor, with a pEC50 of 6.9.
CAS Number
59662-49-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (322.13 mM; Ultrasonic)
Smiles
CCCCCCCCc1ccc (cc1) -c1ccc (cc1) C (O) =O
Molecular Formula
C21H26O2
Molecular Weight
310.43
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

AC55649

4-(4-octylphenyl)benzoic acid is a carboxybiphenyl and a member of biphenyls.

CAS Number59662-49-6
PubChem CID1714884
IUPAC Name4-(4-octylphenyl)benzoic acid
Molecular FormulaC21H26O2
Molecular Weight310.4
XLogP7.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity323
SMILES
CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
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)
InChIKey
HXBKPYIEQLLNBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC55649
CAS: 59662-49-6
CID: 1714884
Formula: C21H26O2
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass310.193280068
Monoisotopic Mass310.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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