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Flavonoids and polyphenols

Baicalin methyl ester

Also known as methyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate, Methyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate, baicalein O-gluA methyl ester

CAS 82475-03-4Formula C22H20O11Molar mass 460.39 g/mol
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Baicalin methyl ester chemical structure, C22H20O11, CAS 82475-03-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82475-03-4
Formula
C22H20O11
Molar mass
460.39 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Baicalin methyl ester?

Plain description, key identifiers and synonyms

Baicalin methyl ester has been reported in Scutellaria baicalensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate
CAS number
82475-03-4
Molecular formula
C22H20O11
InChIKey
AOWRAYJMTOYETH-SXFAUFNYSA-N
InChI
InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)32-13-8-12-14(16(25)15(13)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,17-20,22,24-28H,1H3/t17-,18-,19+,20-,22+/m0/s1
Canonical SMILES
COC(=O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O
Isomeric SMILES
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)O)O)O)O

Synonyms

  • methyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate
  • Methyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
  • baicalein O-gluA methyl ester
  • methyl (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

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
460.39 g/molcalc.
Exact mass
460.1006 Dacalc.
LogP (octanol/water)
0.23calc.
Topological polar surface area
176.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

144 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.

Baicalin methyl ester suppliers

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Where suppliers are based

1 supplier in 1 country

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Baicalin methyl ester 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

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

Frequently asked questions

Quick answers about Baicalin methyl ester, based on the data on this page

What is Baicalin methyl ester?

Baicalin methyl ester has been reported in Scutellaria baicalensis.

What is the CAS number of Baicalin methyl ester?

The CAS registry number of Baicalin methyl ester is 82475-03-4.

What is the molecular formula and weight of Baicalin methyl ester?

The molecular formula of Baicalin methyl ester is C22H20O11 and its molar mass is 460.39 g/mol.

Is Baicalin methyl ester hazardous?

No GHS hazard classification for Baicalin methyl ester 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 Baicalin methyl ester?

Baicalin methyl ester 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 Baicalin methyl ester?

CompoundList lists 1 supplier of Baicalin methyl ester 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 Baicalin methyl ester?

Suppliers quote Baicalin methyl ester 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 Baicalin methyl ester

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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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