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VUN14950

CAT: 0013-GTR19241587-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241587-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VUN14950, also known as 1- (4-methylphenyl) ethyl 3-pyridinecarboxylate, is a synthetic choleretic agent. It is used in research to study bile secretion and related metabolic processes, primarily in experimental models investigating hepatobiliary function.
CAS Number
56614-95-0
Smiles
O=C (OC (C1=CC=C (C=C1) C) C) C=2C=NC=CC2
Molecular Formula
C15H15NO2
Molecular Weight
241.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Pyridinecarboxylic acid, 1-(4-methylphenyl)ethyl ester
CAS Number56614-95-0
PubChem CID202235
IUPAC Name1-(4-methylphenyl)ethyl pyridine-3-carboxylate
Molecular FormulaC15H15NO2
Molecular Weight241.28
XLogP3
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity272
SMILES
CC1=CC=C(C=C1)C(C)OC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H15NO2/c1-11-5-7-13(8-6-11)12(2)18-15(17)14-4-3-9-16-10-14/h3-10,12H,1-2H3
InChIKey
VUICSPKQAQGLBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinecarboxylic acid, 1-(4-methylphenyl)ethyl ester
CAS: 56614-95-0
CID: 202235
Formula: C15H15NO2
MW: 241.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.28
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass241.110278721
Monoisotopic Mass241.110278721
Topological Polar Surface Area39.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202939-01VUN14950

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