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Screening compounds

Calycin

Also known as Calycine, Oxypulvic acid lactone, 3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-2(3H)-benzofuranone

CAS 10091-92-6Formula C18H10O5Molar mass 306.27 g/mol
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Calycin chemical structure, C18H10O5, CAS 10091-92-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10091-92-6
Formula
C18H10O5
Molar mass
306.27 g/mol
HS code
293220
Category
Screening compounds

What is Calycin?

Plain description, key identifiers and synonyms

Calycin is a member of benzofurans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CAS number
10091-92-6
Molecular formula
C18H10O5
InChIKey
CGRCGRBHNKRILW-JQIJEIRASA-N
InChI
InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+
Canonical SMILES
O=C1OC(=C2C(=O)Oc3ccccc32)C(O)=C1c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C2=C(/C(=C\3/C4=CC=CC=C4OC3=O)/OC2=O)O

Synonyms

  • Calycine
  • Oxypulvic acid lactone
  • 3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-2(3H)-benzofuranone
  • 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-
  • 5-19-06-00444 (Beilstein Handbook Reference)
  • 2(3H)-benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-
  • (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
  • (3Z)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
  • 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-(9CI)
  • (3E)-3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-1-benzofuran-2(3H)-one #

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
306.27 g/molcalc.
Exact mass
306.0528 Dacalc.
LogP (octanol/water)
2.84calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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=C1OC(=C2C(=O)Oc3ccccc32)C=C1c1ccccc1

O=C1OC(=C2C(=O)Oc3ccccc32)C=C1c1ccccc1

4 rings, 22 atoms.

1 other chemical 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.

Calycin suppliers

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

Frequently asked questions

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

What is Calycin?

Calycin is a member of benzofurans.

What is the CAS number of Calycin?

The CAS registry number of Calycin is 10091-92-6.

What is the molecular formula and weight of Calycin?

The molecular formula of Calycin is C18H10O5 and its molar mass is 306.27 g/mol.

What is Calycin used for?

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

Is Calycin hazardous?

No GHS hazard classification for Calycin 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 Calycin?

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

Where can I buy Calycin?

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

What is the price of Calycin?

Suppliers quote Calycin 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 Calycin

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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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