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Heterocyclic building blocks

Esuprone

Also known as Esuprona, Esupronum, 7-Hydroxy-3,4-dimethylcoumarin ethanesulfonate

CAS 91406-11-0Formula C13H14O5SMolar mass 282.32 g/mol
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Esuprone chemical structure, C13H14O5S, CAS 91406-11-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91406-11-0
Formula
C13H14O5S
Molar mass
282.32 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Esuprone?

Plain description, key identifiers and synonyms

Esuprone is a chemical substance with the molecular formula C13H14O5S and a molar mass of 282.32 g/mol. Its CAS registry number is 91406-11-0. The IUPAC name is (3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
CAS number
91406-11-0 CAS number cross-checked
Molecular formula
C13H14O5S
UNII
K7EB9E48ZE
InChIKey
CHDGAVDQRSPBTA-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O5S/c1-4-19(15,16)18-10-5-6-11-8(2)9(3)13(14)17-12(11)7-10/h5-7H,4H2,1-3H3
SMILES (canonical and isomeric)
CCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

Synonyms

  • Esuprona
  • Esupronum
  • 7-Hydroxy-3,4-dimethylcoumarin ethanesulfonate
  • (3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
  • Lu 43839
  • 3,4-dimethyl-2-oxo-2H-chromen-7-yl ethane-1-sulfonate
  • 3,4-Dimethyl-2-oxo-2H-1-benzopyran-7-yl ethanesulfonate
  • Ethanesulfonic acid 3,4-dimethyl-2-oxo-2H-chromen-7-yl ester

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
282.32 g/molcalc.
Exact mass
282.0562 Dacalc.
LogP (octanol/water)
2.14calc.
Topological polar surface area
73.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
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, O=c1ccc2ccccc2o1

O=c1ccc2ccccc2o1

2 rings, 11 atoms, the Coumarin ring system.

3,845 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.

Esuprone suppliers

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Esuprone 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 Esuprone 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 Esuprone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Esuprone?

Esuprone is a chemical substance with the molecular formula C13H14O5S and a molar mass of 282.32 g/mol. Its CAS registry number is 91406-11-0. The IUPAC name is (3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate.

What is the CAS number of Esuprone?

The CAS registry number of Esuprone is 91406-11-0.

What is the molecular formula and weight of Esuprone?

The molecular formula of Esuprone is C13H14O5S and its molar mass is 282.32 g/mol.

What is Esuprone used for?

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

Is Esuprone hazardous?

No GHS hazard classification for Esuprone 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 Esuprone?

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

Where can I buy Esuprone?

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What is the price of Esuprone?

Suppliers quote Esuprone 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 Esuprone

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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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