CompoundList
Sign in
Screening compounds

Angeliferulate

Also known as (2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS 879496-41-0Formula C21H24O8Molar mass 404.42 g/mol
Get quotes Safety data
Angeliferulate chemical structure, C21H24O8, CAS 879496-41-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
879496-41-0
Formula
C21H24O8
Molar mass
404.42 g/mol
HS code
291899
Category
Screening compounds

What is Angeliferulate?

Plain description, key identifiers and synonyms

Angeliferulate has been reported in Angelica sinensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CAS number
879496-41-0
Molecular formula
C21H24O8
InChIKey
IYGJNXKQEYRFJG-WEVVVXLNSA-N
InChI
InChI=1S/C21H24O8/c1-26-18-10-13(4-7-15(18)22)5-9-20(25)29-12-17(24)21(28-3)14-6-8-16(23)19(11-14)27-2/h4-11,17,21-24H,12H2,1-3H3/b9-5+
Canonical SMILES
COc1cc(C=CC(=O)OCC(O)C(OC)c2ccc(O)c(OC)c2)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O

Synonyms

  • (2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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
404.42 g/molcalc.
Exact mass
404.1471 Dacalc.
LogP (octanol/water)
2.42calc.
Topological polar surface area
114.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C(C=Cc1ccccc1)OCCCc1ccccc1

O=C(C=Cc1ccccc1)OCCCc1ccccc1

2 rings, 20 atoms, the 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester ring system.

15 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.

Angeliferulate 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 Angeliferulate can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Angeliferulate 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

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 Angeliferulate is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Angeliferulate?

Angeliferulate has been reported in Angelica sinensis.

What is the CAS number of Angeliferulate?

The CAS registry number of Angeliferulate is 879496-41-0.

What is the molecular formula and weight of Angeliferulate?

The molecular formula of Angeliferulate is C21H24O8 and its molar mass is 404.42 g/mol.

What is Angeliferulate used for?

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

Is Angeliferulate hazardous?

No GHS hazard classification for Angeliferulate 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 Angeliferulate?

Angeliferulate is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Angeliferulate?

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

What is the price of Angeliferulate?

Suppliers quote Angeliferulate 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 Angeliferulate

Get quotes for Angeliferulate

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Angeliferulate
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Angeliferulate with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/angeliferulate-879496-41-0" title="Angeliferulate structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 291899

Price on request
Free quotes, contact stays private
Get quotes