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Screening compounds

Lefucoxib

Also known as 1-[4-(Methylsulfonyl)phenyl]-3-trifluoromethyl-5-(3,4-dimethylphenyl)pyrazole, 5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

CAS 849048-84-6Formula C19H17F3N2O2SMolar mass 394.42 g/mol
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Lefucoxib chemical structure, C19H17F3N2O2S, CAS 849048-84-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
849048-84-6
Formula
C19H17F3N2O2S
Molar mass
394.42 g/mol
HS code
293319
Category
Screening compounds

What is Lefucoxib?

Plain description, key identifiers and synonyms

Lefucoxib is a chemical substance with the molecular formula C19H17F3N2O2S and a molar mass of 394.42 g/mol. Its CAS registry number is 849048-84-6. The IUPAC name is 5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CAS number
849048-84-6
Molecular formula
C19H17F3N2O2S
InChIKey
BYPOBZCPKWLRFH-UHFFFAOYSA-N
InChI
InChI=1S/C19H17F3N2O2S/c1-12-4-5-14(10-13(12)2)17-11-18(19(20,21)22)23-24(17)15-6-8-16(9-7-15)27(3,25)26/h4-11H,1-3H3
SMILES (canonical and isomeric)
CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C

Synonyms

  • 1-[4-(Methylsulfonyl)phenyl]-3-trifluoromethyl-5-(3,4-dimethylphenyl)pyrazole
  • 5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
394.42 g/molcalc.
Exact mass
394.0963 Dacalc.
LogP (octanol/water)
4.58calc.
Topological polar surface area
51.96 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2ccnn2-c2ccccc2)cc1

c1ccc(-c2ccnn2-c2ccccc2)cc1

3 rings, 17 atoms, the 1,5-Diphenyl-1H-pyrazole ring system.

451 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Lefucoxib suppliers

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Lefucoxib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lefucoxib is traded under.

HS 2933.19Indicative HS code

Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Lefucoxib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lefucoxib, based on the data on this page

What is Lefucoxib?

Lefucoxib is a chemical substance with the molecular formula C19H17F3N2O2S and a molar mass of 394.42 g/mol. Its CAS registry number is 849048-84-6. The IUPAC name is 5-(3,4-dimethylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.

What is the CAS number of Lefucoxib?

The CAS registry number of Lefucoxib is 849048-84-6.

What is the molecular formula and weight of Lefucoxib?

The molecular formula of Lefucoxib is C19H17F3N2O2S and its molar mass is 394.42 g/mol.

What is Lefucoxib used for?

Known uses and roles of Lefucoxib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Lefucoxib hazardous?

No GHS hazard classification for Lefucoxib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Lefucoxib?

Lefucoxib is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lefucoxib?

Post a free request on CompoundList and suppliers of Lefucoxib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lefucoxib?

Suppliers quote Lefucoxib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Lefucoxib

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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