Valafolone (CAS 129724-41-0): price, suppliers and safety

What is Valafolone?

Plain description, key identifiers and synonyms

Valafolone is a chemical substance with the molecular formula C22H24O7 and a molar mass of 400.43 g/mol. Its CAS registry number is 129724-41-0. The IUPAC name is [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate
CAS number: 129724-41-0
Molecular formula: C₂₂H₂₄O₇
InChIKey: YABVHCBUBNHULG-ZHACJKMWSA-N
InChI: InChI=1S/C22H24O7/c1-13(2)12-16(24)29-22-19(26)21(28-4)18(25)17(20(22)27-3)15(23)11-10-14-8-6-5-7-9-14/h5-11,13,25-26H,12H2,1-4H3/b11-10+
Canonical SMILES: COc1c(O)c(OC(=O)CC(C)C)c(OC)c(C(=O)C=Cc2ccccc2)c1O
Isomeric SMILES: CC(C)CC(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)/C=C/C2=CC=CC=C2)OC

Synonyms

(2,4-dihydroxy-3,6-dimethoxy-5-((E)-3-phenylprop-2-enoyl)phenyl) 3-methylbutanoate
[2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate

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	400.43 g/molcalc.
Exact mass	400.1522 Dacalc.
LogP (octanol/water)	3.96calc.
Topological polar surface area	102.3 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	8calc.
Heavy atoms	29calc.
Rings	2calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.27calc.
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

O=C(C=Cc1ccccc1)c1ccccc1

2 rings, 16 atoms.

2,316 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.

Valafolone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Valafolone can send you quotes. Your contact details stay private until you accept a quote.

Request quotes Sell this chemical

Valafolone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Valafolone is traded under.

HS 2915.60Indicative HS code

Butanoic acids, pentanoic acids, their salts and esters

World exports in 2024

$704M

+7.9% vs 2023, imports $679M

2019 to 2024

Top exporters

Top importers

India * partner reported9.8%
United States9.7%
Netherlands7.4%

* Partner reported figures, a lower bound.

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

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

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

2',4'-Dihydroxy-3'-isovaleryloxy-6'-methoxychalcone chemical structure, C21H22O6, CAS 116988-12-6

Isodidymocarpin chemical structure, C18H18O6, CAS 71326-08-4

72% similar

Isodidymocarpin71326-08-4C₁₈H₁₈O₆

Melafolone chemical structure, C22H24O7, CAS 129724-42-1

72% similar

Melafolone129724-42-1C₂₂H₂₄O₇

3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone chemical structure, C22H22O7, CAS 129724-40-9

Pedicin chemical structure, C18H18O6, CAS 521-51-7

66% similar

Pedicin521-51-7C₁₈H₁₈O₆

Kanakugiol chemical structure, C19H20O6, CAS 57499-44-2

66% similar

Kanakugiol57499-44-2C₁₉H₂₀O₆

3'-Hydroxy-2',4',5',6'-tetramethoxychalcone chemical structure, C19H20O6, CAS 80405-08-9

Same formula isomers

Different compounds that share this molecular formula

All isomers

Yatein chemical structure, C22H24O7, CAS 40456-50-6

Yatein40456-50-6C₂₂H₂₄O₇1 supplier

(+)-Aschantin chemical structure, C22H24O7, CAS 13060-15-6

(+)-Aschantin13060-15-6C₂₂H₂₄O₇

(1E,4E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,4-pentadiene-3-one chemical structure, C22H24O7, CAS 1217503-60-0

(1E,4E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,4-pentadiene-3-one1217503-60-0C₂₂H₂₄O₇

Anhydropodophyllol chemical structure, C22H24O7, CAS 6320-12-3

Anhydropodophyllol6320-12-3C₂₂H₂₄O₇

6-[3-(3,4-Dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole chemical structure, C22H24O7, CAS 873867-94-8

6-[3-(3,4-Dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole873867-94-8C₂₂H₂₄O₇

Brevicornin chemical structure, C22H24O7, CAS 173792-49-9

Brevicornin173792-49-9C₂₂H₂₄O₇

Epiaschantin chemical structure, C22H24O7, CAS 41689-50-3

Epiaschantin41689-50-3C₂₂H₂₄O₇

2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one chemical structure, C22H24O7, CAS 70460-26-3

2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one70460-26-3C₂₂H₂₄O₇

$Naphthalen-2-yl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylate chemical structure, C22H24O7, CAS 1095323-52-6$

Naphthalen-2-yl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylate1095323-52-6C₂₂H₂₄O₇

2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone chemical structure, C22H24O7, CAS 61091-56-3

2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone61091-56-3C₂₂H₂₄O₇

$Naphthalen-1-yl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylate chemical structure, C22H24O7, CAS 1094816-14-4$

Naphthalen-1-yl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylate1094816-14-4C₂₂H₂₄O₇

Furaquinocin G chemical structure, C22H24O7, CAS 134985-02-7

Furaquinocin G134985-02-7C₂₂H₂₄O₇

Frequently asked questions

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

What is Valafolone?

Valafolone is a chemical substance with the molecular formula C22H24O7 and a molar mass of 400.43 g/mol. Its CAS registry number is 129724-41-0. The IUPAC name is [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 3-methylbutanoate.

What is the CAS number of Valafolone?

The CAS registry number of Valafolone is 129724-41-0.

What is the molecular formula and weight of Valafolone?

The molecular formula of Valafolone is C22H24O7 and its molar mass is 400.43 g/mol.

Is Valafolone hazardous?

No GHS hazard classification for Valafolone 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 Valafolone?

Valafolone is usually classified under HS code 291560 (Butanoic acids, pentanoic acids, their salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Valafolone?

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

What is the price of Valafolone?

Suppliers quote Valafolone 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 Valafolone

Valafolone

Key facts

What is Valafolone?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Valafolone suppliers

Valafolone price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Valafolone?

What is the CAS number of Valafolone?

What is the molecular formula and weight of Valafolone?

Is Valafolone hazardous?

What is the HS code of Valafolone?

Where can I buy Valafolone?

What is the price of Valafolone?

Guides for buyers

Get quotes for Valafolone

Key facts

What is Valafolone?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Valafolone suppliers

Valafolone price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Valafolone?

What is the CAS number of Valafolone?

What is the molecular formula and weight of Valafolone?

Is Valafolone hazardous?

What is the HS code of Valafolone?

Where can I buy Valafolone?

What is the price of Valafolone?

Guides for buyers

Get quotes for Valafolone