Products for Research Use Only
RegisterLogin

Desmethyl Etoricoxib

CAT: 0572-TRC-D296895-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D296895-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
202409-31-2
Synonyms
5-Chloro-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine; 5-Chloro-3-(4-methylsulfonylphenyl)-2-(3-pyridyl)pyridine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3cccnc3
Molecular Formula
C17 H13 Cl N2 O2 S
Molecular Weight
344.82
InChI
InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
Additionnal Information
IUPAC name: 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine

L787257 is a member of bipyridines.

CAS Number202409-31-2
PubChem CID443378
IUPAC Name5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.8
XLogP2.9
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity485
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
InChIKey
CUVUXNULRBGYON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
CAS: 202409-31-2
CID: 443378
Formula: C17H13ClN2O2S
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass344.0386265
Monoisotopic Mass344.0386265
Topological Polar Surface Area68.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity485
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

Related Products

CatalogName
TRC-E291815-500MG6’-Desmethyl-6’-carboxy Etoricoxib
TRC-D291810-100MG6’-Desmethyl-6’-methylhydroxy Etoricoxib
TRC-D293035-100MG6'-Desmethyl-6'-methylhydroxy Etoricoxib N1'-Oxide
TRC-D293065-25MG6'-Desmethyl-6'-methylhydroxy Etoricoxib-beta-glucuronide
TRC-E934100-100MGEtoricoxib
TRC-E934100-1GEtoricoxib
TRC-E934100-500MGEtoricoxib
TRC-E934102-2.5MGEtoricoxib-d3
TRC-E934109-100MGEtoricoxib-d9
TRC-E934102-25MGEtoricoxib-D3

Alternative Products

CatalogName
CS-O-15237Desmethyl Etoricoxib
446336-01Desmethyl Etoricoxib-d4
CS-T-162676'-Desmethyl-6'-methylhydroxy Etoricoxib
439031-016’-Desmethyl-6’-methylhydroxy Etoricoxib
AR-E02178-016’-Desmethyl-6’-carboxy Etoricoxib
sc-4973716′-Desmethyl-6′-carboxy Etoricoxib
sc-5003096′-Desmethyl-6′-methylhydroxy Etoricoxib
4390336'-Desmethyl-6'-methylhydroxy Etoricoxib-β-glucuronide
439032-016'-Desmethyl-6'-methylhydroxy Etoricoxib N1'-Oxide
ZNA53640-016-Desmethyl-6-methylhydroxy etoricoxib-beta-glucuronide

Popular Products