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Screening compounds

Bode catalyst 2

Also known as (5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium chloride, (+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride, (5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chlorine

CAS 903571-02-8Formula C21H22ClN3OMolar mass 367.88 g/mol
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Bode catalyst 2 chemical structure, C21H22ClN3O, CAS 903571-02-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
903571-02-8
Formula
C21H22ClN3O
Molar mass
367.88 g/mol
HS code
293499
Category
Screening compounds

What is Bode catalyst 2?

Plain description, key identifiers and synonyms

Bode catalyst 2 is a chemical substance with the molecular formula C21H22ClN3O and a molar mass of 367.88 g/mol. Its CAS registry number is 903571-02-8. The IUPAC name is (1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene chloride
CAS number
903571-02-8
Molecular formula
C21H22ClN3O
MDL number
MFCD09787522
InChIKey
GUECWMLEUCWYOS-WKOQGQMTSA-M
InChI
InChI=1S/C21H22N3O.ClH/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;/h4-9,12,18,21H,10-11H2,1-3H3;1H/q+1;/p-1/t18-,21+;/m1./s1
Canonical SMILES
Cc1cc(C)c(-n2c[n+]3c(n2)COC2Cc4ccccc4C23)c(C)c1.[Cl-]
Isomeric SMILES
CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@@H]4[C@@H](CC5=CC=CC=C45)OCC3=N2)C.[Cl-]

Synonyms

  • (5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium chloride
  • (+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride
  • (5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chlorine
  • (-)-(5as,10br)-5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-4h,6h-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium chloride monohydrate
  • (+)-(5aR,10bS)-5a,10b-Dihydro-2-mesityl-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride
  • (1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene, chloride
  • (5aR,10bS)-2-Mesityl-2,5a,6,10b-tetrahydro-4H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium chloride hydrate (1:1:1)
  • (5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium Chloride
  • (5aR,10bS)-2-mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride
  • (5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxaziniumchloride
  • [5a-R,10b-S]-2-(2,4,6-Trimethyl-phenyl)-2,5a,6,10b-tetrahydro-4H-5-oxa-2,3-diaza-10c-azonia-cyclopen

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
367.88 g/molcalc.
Exact mass
367.1451 Dacalc.
LogP (octanol/water)
0.13calc.
Topological polar surface area
30.93 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, c1ccc(-n2c[n+]3c(n2)COC2Cc4ccccc4C23)cc1

c1ccc(-n2c[n+]3c(n2)COC2Cc4ccccc4C23)cc1

5 rings, 22 atoms.

56 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.

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Bode catalyst 2 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 Bode catalyst 2 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Bode catalyst 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bode catalyst 2, based on the data on this page

What is Bode catalyst 2?

Bode catalyst 2 is a chemical substance with the molecular formula C21H22ClN3O and a molar mass of 367.88 g/mol. Its CAS registry number is 903571-02-8. The IUPAC name is (1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene chloride.

What is the CAS number of Bode catalyst 2?

The CAS registry number of Bode catalyst 2 is 903571-02-8.

What is the molecular formula and weight of Bode catalyst 2?

The molecular formula of Bode catalyst 2 is C21H22ClN3O and its molar mass is 367.88 g/mol.

What is Bode catalyst 2 used for?

Known uses and roles of Bode catalyst 2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bode catalyst 2 hazardous?

No GHS hazard classification for Bode catalyst 2 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 Bode catalyst 2?

Bode catalyst 2 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bode catalyst 2?

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What is the price of Bode catalyst 2?

Suppliers quote Bode catalyst 2 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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