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Screening compounds

Microphyllinsaure

Also known as 2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)benzoic acid, 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-6-(2-oxoheptyl)benzoic acid

CAS 491-46-3Formula C29H36O9Molar mass 528.60 g/mol
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Microphyllinsaure chemical structure, C29H36O9, CAS 491-46-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
491-46-3
Formula
C29H36O9
Molar mass
528.60 g/mol
HS code
291899
Category
Screening compounds

What is Microphyllinsaure?

Plain description, key identifiers and synonyms

Microphyllinsaure is a chemical substance with the molecular formula C29H36O9 and a molar mass of 528.60 g/mol. Its CAS registry number is 491-46-3. The IUPAC name is 2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-6-(2-oxoheptyl)benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-6-(2-oxoheptyl)benzoic acid
CAS number
491-46-3
Molecular formula
C29H36O9
InChIKey
ZYBMBXGISAHLBW-UHFFFAOYSA-N
InChI
InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-15-23(17-24(32)26(18)28(34)35)38-29(36)27-19(13-21(31)11-9-7-5-2)14-22(37-3)16-25(27)33/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)
SMILES (canonical and isomeric)
CCCCCC(=O)CC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CC(=O)CCCCC

Synonyms

  • 2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)benzoic acid
  • 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-6-(2-oxoheptyl)benzoic acid

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
528.60 g/molcalc.
Exact mass
528.2359 Dacalc.
LogP (octanol/water)
5.41calc.
Topological polar surface area
147.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
16calc.
Heavy atoms
38calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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(Oc1ccccc1)c1ccccc1

O=C(Oc1ccccc1)c1ccccc1

2 rings, 15 atoms, the Phenyl benzoate ring system.

2,426 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.

Microphyllinsaure suppliers

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

Frequently asked questions

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

What is Microphyllinsaure?

Microphyllinsaure is a chemical substance with the molecular formula C29H36O9 and a molar mass of 528.60 g/mol. Its CAS registry number is 491-46-3. The IUPAC name is 2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-6-(2-oxoheptyl)benzoic acid.

What is the CAS number of Microphyllinsaure?

The CAS registry number of Microphyllinsaure is 491-46-3.

What is the molecular formula and weight of Microphyllinsaure?

The molecular formula of Microphyllinsaure is C29H36O9 and its molar mass is 528.60 g/mol.

What is Microphyllinsaure used for?

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

Is Microphyllinsaure hazardous?

No GHS hazard classification for Microphyllinsaure 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 Microphyllinsaure?

Microphyllinsaure 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 Microphyllinsaure?

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

What is the price of Microphyllinsaure?

Suppliers quote Microphyllinsaure 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

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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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