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Heterocyclic building blocks

Pseudobaptigenin methyl ether

Also known as 3-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one, 7-Methoxy-3',4'-methylenedioxyisoflavone, DivK1c_007020

CAS 4253-04-7Formula C17H12O5Molar mass 296.28 g/mol
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Pseudobaptigenin methyl ether chemical structure, C17H12O5, CAS 4253-04-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4253-04-7
Formula
C17H12O5
Molar mass
296.28 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Pseudobaptigenin methyl ether?

Plain description, key identifiers and synonyms

pseudobaptigenin methyl ether has been reported in Ateleia herbert-smithii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one
CAS number
4253-04-7
Molecular formula
C17H12O5
InChIKey
PCCZMNIBWCKFBC-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O5/c1-19-11-3-4-12-15(7-11)20-8-13(17(12)18)10-2-5-14-16(6-10)22-9-21-14/h2-8H,9H2,1H3
SMILES (canonical and isomeric)
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4

Synonyms

  • 3-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one
  • 7-Methoxy-3',4'-methylenedioxyisoflavone
  • DivK1c_007020
  • CMLD3_000214
  • Pseudo-baptigenin, methyl ether

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
296.28 g/molcalc.
Exact mass
296.0685 Dacalc.
LogP (octanol/water)
3.2calc.
Topological polar surface area
57.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.12calc.
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=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12

O=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12

4 rings, 20 atoms.

55 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.

Pseudobaptigenin methyl ether suppliers

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Pseudobaptigenin methyl ether 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 Pseudobaptigenin methyl ether is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pseudobaptigenin methyl ether, based on the data on this page

What is Pseudobaptigenin methyl ether?

pseudobaptigenin methyl ether has been reported in Ateleia herbert-smithii.

What is the CAS number of Pseudobaptigenin methyl ether?

The CAS registry number of Pseudobaptigenin methyl ether is 4253-04-7.

What is the molecular formula and weight of Pseudobaptigenin methyl ether?

The molecular formula of Pseudobaptigenin methyl ether is C17H12O5 and its molar mass is 296.28 g/mol.

What is Pseudobaptigenin methyl ether used for?

Known uses and roles of Pseudobaptigenin methyl ether include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pseudobaptigenin methyl ether hazardous?

No GHS hazard classification for Pseudobaptigenin methyl ether 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 Pseudobaptigenin methyl ether?

Pseudobaptigenin methyl ether is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pseudobaptigenin methyl ether?

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What is the price of Pseudobaptigenin methyl ether?

Suppliers quote Pseudobaptigenin methyl ether 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 Pseudobaptigenin methyl ether

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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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