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Screening compounds

Orb3211896

CAS 2409077-02-5Formula C19H22O7Molar mass 362.38 g/mol
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Orb3211896 chemical structure, C19H22O7, CAS 2409077-02-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2409077-02-5
Formula
C19H22O7
Molar mass
362.38 g/mol
HS code
293299
Category
Screening compounds

What is Orb3211896?

Plain description, key identifiers and synonyms

Orb3211896 is a chemical substance with the molecular formula C19H22O7 and a molar mass of 362.38 g/mol. Its CAS registry number is 2409077-02-5. The IUPAC name is methyl (2R,3S,4R)-6-hydroxy-2-(hydroxymethyl)-3,4-dimethoxy-2-methyl-3,4-dihydrobenzo[h]chromene-5-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R,3S,4R)-6-hydroxy-2-(hydroxymethyl)-3,4-dimethoxy-2-methyl-3,4-dihydrobenzo[h]chromene-5-carboxylate
CAS number
2409077-02-5
Molecular formula
C19H22O7
InChIKey
XFGGSXXKORYAAS-ZIFCJYIRSA-N
InChI
InChI=1S/C19H22O7/c1-19(9-20)17(24-3)16(23-2)13-12(18(22)25-4)14(21)10-7-5-6-8-11(10)15(13)26-19/h5-8,16-17,20-21H,9H2,1-4H3/t16-,17+,19-/m1/s1
Canonical SMILES
COC(=O)c1c2c(c3ccccc3c1O)OC(C)(CO)C(OC)C2OC
Isomeric SMILES
C[C@]1([C@H]([C@@H](C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)OC)CO

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
362.38 g/molcalc.
Exact mass
362.1366 Dacalc.
LogP (octanol/water)
2.18calc.
Topological polar surface area
94.45 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c3c(ccc2c1)CCCO3

c1ccc2c3c(ccc2c1)CCCO3

3 rings, 14 atoms, the Benzochroman ring system.

18 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.

Orb3211896 suppliers

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Orb3211896 price

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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 Orb3211896 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 Orb3211896 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3211896, based on the data on this page

What is Orb3211896?

Orb3211896 is a chemical substance with the molecular formula C19H22O7 and a molar mass of 362.38 g/mol. Its CAS registry number is 2409077-02-5. The IUPAC name is methyl (2R,3S,4R)-6-hydroxy-2-(hydroxymethyl)-3,4-dimethoxy-2-methyl-3,4-dihydrobenzo[h]chromene-5-carboxylate.

What is the CAS number of Orb3211896?

The CAS registry number of Orb3211896 is 2409077-02-5.

What is the molecular formula and weight of Orb3211896?

The molecular formula of Orb3211896 is C19H22O7 and its molar mass is 362.38 g/mol.

What is Orb3211896 used for?

Known uses and roles of Orb3211896 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3211896 hazardous?

No GHS hazard classification for Orb3211896 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 Orb3211896?

Orb3211896 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 Orb3211896?

Post a free request on CompoundList and suppliers of Orb3211896 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3211896?

Suppliers quote Orb3211896 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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