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Flavonoids and polyphenols

Baicalin hydrate

Also known as (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate, Baicalein 7-O--D-glucuronide, (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-carboxylic acid hydrate

CAS 206752-33-2Formula C21H20O12Molar mass 464.38 g/mol
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Baicalin hydrate chemical structure, C21H20O12, CAS 206752-33-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
206752-33-2
Formula
C21H20O12
Molar mass
464.38 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Baicalin hydrate?

Plain description, key identifiers and synonyms

Baicalin hydrate is a chemical substance with the molecular formula C21H20O12 and a molar mass of 464.38 g/mol. Its CAS registry number is 206752-33-2. The IUPAC name is (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate
CAS number
206752-33-2Other or deprecated CAS: 1262750-70-8
Molecular formula
C21H20O12
InChIKey
WLEKZZMZTPAGDD-ZSESPEEFSA-N
InChI
InChI=1S/C21H18O11.H2O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);1H2/t16-,17-,18+,19-,21+;/m0./s1
Canonical SMILES
O.O=C(O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O
Isomeric SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.O

Synonyms

  • (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate
  • Baicalein 7-O--D-glucuronide
  • (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-carboxylic acid hydrate
  • (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid, hydrate

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
464.38 g/molcalc.
Exact mass
464.0955 Dacalc.
LogP (octanol/water)
-0.68calc.
Topological polar surface area
218.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
2calc.
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 hydrate suppliers

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

Frequently asked questions

Quick answers about Baicalin hydrate, based on the data on this page

What is Baicalin hydrate?

Baicalin hydrate is a chemical substance with the molecular formula C21H20O12 and a molar mass of 464.38 g/mol. Its CAS registry number is 206752-33-2. The IUPAC name is (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate.

What is the CAS number of Baicalin hydrate?

The CAS registry number of Baicalin hydrate is 206752-33-2. Other or deprecated CAS numbers: 1262750-70-8.

What is the molecular formula and weight of Baicalin hydrate?

The molecular formula of Baicalin hydrate is C21H20O12 and its molar mass is 464.38 g/mol.

Is Baicalin hydrate hazardous?

No GHS hazard classification for Baicalin hydrate 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 hydrate?

Baicalin hydrate 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 hydrate?

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

What is the price of Baicalin hydrate?

Suppliers quote Baicalin hydrate 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 hydrate

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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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