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Screening compounds

Farfaratin

CAS 126453-63-2Formula C23H34O5Molar mass 390.52 g/mol
1 supplier listed
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Farfaratin chemical structure, C23H34O5, CAS 126453-63-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126453-63-2
Formula
C23H34O5
Molar mass
390.52 g/mol
HS code
291619
Category
Screening compounds

What is Farfaratin?

Plain description, key identifiers and synonyms

[(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate has been reported in Tussilago farfara.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
CAS number
126453-63-2
Molecular formula
C23H34O5
InChIKey
CFUPNMDNSQIWBB-ACCKDKKQSA-N
InChI
InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15?,17-,18-,20+,22+,23-/m0/s1
Canonical SMILES
C=C1C(OC(=O)C=C(C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
Isomeric SMILES
CC/C(=C/C(=O)O[C@@H]1C[C@H]([C@H]2[C@H](C1=C)CC(=O)[C@H]2C(C)OC(=O)C)C(C)C)/C

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
390.52 g/molcalc.
Exact mass
390.2406 Dacalc.
LogP (octanol/water)
4.26calc.
Topological polar surface area
69.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C=C1CCCC2CC(=O)CC12

C=C1CCCC2CC(=O)CC12

2 rings, 11 atoms.

6 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.

Farfaratin suppliers

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Where suppliers are based

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Farfaratin 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 Farfaratin is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Farfaratin?

[(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate has been reported in Tussilago farfara.

What is the CAS number of Farfaratin?

The CAS registry number of Farfaratin is 126453-63-2.

What is the molecular formula and weight of Farfaratin?

The molecular formula of Farfaratin is C23H34O5 and its molar mass is 390.52 g/mol.

What is Farfaratin used for?

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

Is Farfaratin hazardous?

No GHS hazard classification for Farfaratin 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 Farfaratin?

Farfaratin is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Farfaratin?

CompoundList lists 1 supplier of Farfaratin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Farfaratin?

Suppliers quote Farfaratin 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 Farfaratin

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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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