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Heterocyclic building blocks

Furegrelate

Also known as Furegrelato, 2-Benzofurancarboxylic acid, 5-(3-pyridinylmethyl)-, furegrelatum

CAS 85666-24-6Formula C15H11NO3Molar mass 253.26 g/mol
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Furegrelate chemical structure, C15H11NO3, CAS 85666-24-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85666-24-6
Formula
C15H11NO3
Molar mass
253.26 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Furegrelate?

Plain description, key identifiers and synonyms

5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid is a member of benzofurans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
CAS number
85666-24-6 CAS number cross-checked
Molecular formula
C15H11NO3
UNII
KX4D9BZA6X
InChIKey
VHWFITPGPFLBGT-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)
SMILES (canonical and isomeric)
C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O

Synonyms

  • Furegrelato
  • 2-Benzofurancarboxylic acid, 5-(3-pyridinylmethyl)-
  • furegrelatum
  • 2-Benzofurancarboxylic acid, 5-(3-pyridinylmethyl)-, sodium salt
  • 5-(pyridin-3-ylmethyl)benzofuran-2-carboxylic acid
  • 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
  • U-63557A (free acid)
  • Furegarelatum
  • 5-(3-pyridylmethyl)-2-benzofurancarboxylic acid
  • DivK1c_000255
  • 5-[(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid
  • Sdccgsbi-0050499.p003
  • 5-(3-Pyridinylmethyl)-2-benzofurancarboxylic acid
  • 5-(3-Pyridylmethyl)-2-benzofurancarboxylate

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
253.26 g/molcalc.
Exact mass
253.0739 Dacalc.
LogP (octanol/water)
3.12calc.
Topological polar surface area
63.33 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.07calc.
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, c1cncc(Cc2ccc3occc3c2)c1

c1cncc(Cc2ccc3occc3c2)c1

3 rings, 16 atoms.

2 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.

Furegrelate suppliers

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Furegrelate 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

Pharmacological actions

  • Enzyme Inhibitors

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 Furegrelate is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Furegrelate?

5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid is a member of benzofurans.

What is the CAS number of Furegrelate?

The CAS registry number of Furegrelate is 85666-24-6.

What is the molecular formula and weight of Furegrelate?

The molecular formula of Furegrelate is C15H11NO3 and its molar mass is 253.26 g/mol.

What is Furegrelate used for?

Known uses and roles of Furegrelate include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory and enzyme inhibitors.

Is Furegrelate hazardous?

No GHS hazard classification for Furegrelate 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 Furegrelate?

Furegrelate is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Furegrelate?

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

What is the price of Furegrelate?

Suppliers quote Furegrelate 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 Furegrelate

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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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