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CAY10788

CAT: 0013-GTR19208107-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208107-02Size:5 mg
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Description
CAY10788 is a selective CysLT1 receptor antagonist used in research to investigate leukotriene-mediated pathways. It is applied in both in vitro and in vivo studies to explore inflammation, asthma, and allergic responses, providing a tool for pharmacological characterization of the CysLT1 receptor.
CAS Number
119515-00-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C (OC1=CC (C (OC) =O) =CC=C1) C2=NC3=C (C=C2) C=CC=C3
Molecular Formula
C18H15NO3
Molecular Weight
293.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 3-(quinolin-2-ylmethoxy)benzoate
CAS Number119515-00-3
PubChem CID13626863
IUPAC Namemethyl 3-(quinolin-2-ylmethoxy)benzoate
Molecular FormulaC18H15NO3
Molecular Weight293.3
XLogP3.5
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
COC(=O)C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H15NO3/c1-21-18(20)14-6-4-7-16(11-14)22-12-15-10-9-13-5-2-3-8-17(13)19-15/h2-11H,12H2,1H3
InChIKey
INKCQRGAPBDVIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(quinolin-2-ylmethoxy)benzoate
CAS: 119515-00-3
CID: 13626863
Formula: C18H15NO3
MW: 293.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass293.10519334
Monoisotopic Mass293.10519334
Topological Polar Surface Area48.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
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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