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Tiafibrate

CAT: 0013-GTR19242034-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242034-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tiafibrate, a dithiahexadecanediol derivative, is a research compound recognized for its hypolipidemic activity. It serves as a useful tool for investigating cholesterol metabolism in both in vitro biochemical assays and in vivo animal models of hyperlipidemia.
CAS Number
55837-28-0
Smiles
O=C (OCCSCCCCCCCCCCSCCOC (=O) C (OC1=CC=C (Cl) C=C1) (C) C) C (OC2=CC=C (Cl) C=C2) (C) C
Molecular Formula
C34H48Cl2O6S2
Molecular Weight
687.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tiafibrate

Tiafibrate is a small molecule drug. The usage of the INN stem '-fibrate' in the name indicates that Tiafibrate is a clofibrate derivative, peroxisome proliferator activated receptor-a (PPAR-a) agonist. Tiafibrate has a monoisotopic molecular weight of 686.23 Da.

CAS Number55837-28-0
PubChem CID3085097
IUPAC Name2-[10-[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethylsulfanyl]decylsulfanyl]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Molecular FormulaC34H48Cl2O6S2
Molecular Weight687.8
XLogP10.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Heavy Atom Count44
Formal Charge0
Complexity720
SMILES
CC(C)(C(=O)OCCSCCCCCCCCCCSCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C34H48Cl2O6S2/c1-33(2,41-29-17-13-27(35)14-18-29)31(37)39-21-25-43-23-11-9-7-5-6-8-10-12-24-44-26-22-40-32(38)34(3,4)42-30-19-15-28(36)16-20-30/h13-20H,5-12,21-26H2,1-4H3
InChIKey
RSLQBRWTDJTEHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiafibrate
CAS: 55837-28-0
CID: 3085097
Formula: C34H48Cl2O6S2
MW: 687.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.8
XLogP310.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Exact Mass686.2269370
Monoisotopic Mass686.2269370
Topological Polar Surface Area122 Ų
Heavy Atom Count44
Formal Charge0
Complexity720
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

Alternative Products

CatalogName
T202507-01Tiafibrate

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