Products for Research Use Only

Binifibrate

CAT: 0013-GTR19198073-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198073-01Size:25 mg
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Description
Binifibrate is a small molecule agent utilized in hyperlipidemia research. It serves as a hypolipidemic compound for investigating lipid metabolism in both in vitro cellular assays and in vivo animal models of dyslipidemia.
CAS Number
69047-39-8
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
C (OC (C (OC1=CC=C (Cl) C=C1) (C) C) =O) (COC (=O) C=2C=CC=NC2) COC (=O) C=3C=CC=NC3
Molecular Formula
C25H23ClN2O7
Molecular Weight
498.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Binifibrate

Binifibrate is a monocarboxylic acid.

CAS Number69047-39-8
PubChem CID68884
IUPAC Name[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
Molecular FormulaC25H23ClN2O7
Molecular Weight498.9
XLogP4.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity678
SMILES
CC(C)(C(=O)OC(COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H23ClN2O7/c1-25(2,35-20-9-7-19(26)8-10-20)24(31)34-21(15-32-22(29)17-5-3-11-27-13-17)16-33-23(30)18-6-4-12-28-14-18/h3-14,21H,15-16H2,1-2H3
InChIKey
BFYRHDVAEJIBON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Binifibrate
CAS: 69047-39-8
CID: 68884
Formula: C25H23ClN2O7
MW: 498.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.9
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass498.1193788
Monoisotopic Mass498.1193788
Topological Polar Surface Area114 Ų
Heavy Atom Count35
Formal Charge0
Complexity678
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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