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Screening compounds

5-Hydroxyrofecoxib

Also known as Rofecoxib metabolite 5-hydroxyrofecoxib, 5-Hydroxy-3-phenyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one, 2(5H)-Furanone, 5-hydroxy-4-(4-(methylsulfonyl)phenyl)-3-phenyl-

CAS 185147-17-5Formula C17H14O5SMolar mass 330.36 g/mol
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5-Hydroxyrofecoxib chemical structure, C17H14O5S, CAS 185147-17-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
185147-17-5
Formula
C17H14O5S
Molar mass
330.36 g/mol
HS code
293220
Category
Screening compounds

What is 5-Hydroxyrofecoxib?

Plain description, key identifiers and synonyms

5-Hydroxyrofecoxib is a chemical substance with the molecular formula C17H14O5S and a molar mass of 330.36 g/mol. Its CAS registry number is 185147-17-5. The IUPAC name is 2-hydroxy-3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxy-3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CAS number
185147-17-5 CAS number cross-checked
Molecular formula
C17H14O5S
UNII
8DJV9U9K61
MDL number
MFCD18382371
InChIKey
NCBVUSNBLYMFPP-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3
SMILES (canonical and isomeric)
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2O)C3=CC=CC=C3

Synonyms

  • Rofecoxib metabolite 5-hydroxyrofecoxib
  • 5-Hydroxy-3-phenyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one
  • 2(5H)-Furanone, 5-hydroxy-4-(4-(methylsulfonyl)phenyl)-3-phenyl-
  • 5-Hydroxy Vioxx
  • 5-Hydroxy rofecoxib
  • 2-hydroxy-3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
  • 5-Hydroxy-4-(4-methanesulfonyl-phenyl)-3-phenyl-5H-furan-2-one
  • 5-Hydroxy-4-[4-(methanesulfonyl)phenyl]-3-phenylfuran-2(5H)-one
  • 5-Hydroxy-4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone, 5-Hydroxyrofecoxib,

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
330.36 g/molcalc.
Exact mass
330.0562 Dacalc.
LogP (octanol/water)
1.88calc.
Topological polar surface area
80.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.12calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1OCC(c2ccccc2)=C1c1ccccc1

O=C1OCC(c2ccccc2)=C1c1ccccc1

3 rings, 18 atoms, the 3,4-Diphenyl-5H-furan-2-one ring system.

30 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.

5-Hydroxyrofecoxib suppliers

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5-Hydroxyrofecoxib 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 5-Hydroxyrofecoxib is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-Hydroxyrofecoxib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Hydroxyrofecoxib, based on the data on this page

What is 5-Hydroxyrofecoxib?

5-Hydroxyrofecoxib is a chemical substance with the molecular formula C17H14O5S and a molar mass of 330.36 g/mol. Its CAS registry number is 185147-17-5. The IUPAC name is 2-hydroxy-3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one.

What is the CAS number of 5-Hydroxyrofecoxib?

The CAS registry number of 5-Hydroxyrofecoxib is 185147-17-5.

What is the molecular formula and weight of 5-Hydroxyrofecoxib?

The molecular formula of 5-Hydroxyrofecoxib is C17H14O5S and its molar mass is 330.36 g/mol.

What is 5-Hydroxyrofecoxib used for?

Known uses and roles of 5-Hydroxyrofecoxib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5-Hydroxyrofecoxib hazardous?

No GHS hazard classification for 5-Hydroxyrofecoxib 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 5-Hydroxyrofecoxib?

5-Hydroxyrofecoxib is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Hydroxyrofecoxib?

Post a free request on CompoundList and suppliers of 5-Hydroxyrofecoxib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5-Hydroxyrofecoxib?

Suppliers quote 5-Hydroxyrofecoxib 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 5-Hydroxyrofecoxib

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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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