Products for Research Use Only

ST-1892

CAT: 0931-T24837-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T24837-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1409411-32-0
Target
FXR, Others
Related Pathways
Others, Metabolism
Bioactivity
ST-1892 is a soluble partial FXR agonist.
Smiles
CC1=C(C=2N=C(ON2)C3=CC(C(O)=O)=CC=C3)C=CC=C1
Molecular Formula
C16H12N2O3
Molecular Weight
280.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CAS Number1409411-32-0
PubChem CID62925495
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
Molecular FormulaC16H12N2O3
Molecular Weight280.28
XLogP3.4
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=CC=C3)C(=O)O
InChI
InChI=1S/C16H12N2O3/c1-10-5-2-3-8-13(10)14-17-15(21-18-14)11-6-4-7-12(9-11)16(19)20/h2-9H,1H3,(H,19,20)
InChIKey
WHNBOVWEWUVNOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CAS: 1409411-32-0
CID: 62925495
Formula: C16H12N2O3
MW: 280.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.28
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass280.08479225
Monoisotopic Mass280.08479225
Topological Polar Surface Area76.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
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

Popular Products