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Acid, base and phase-transfer catalysts

Mdl 73404

Also known as DHHBE, MDL 74405, 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium, 4-methylbenzenesulfonate

CAS 130573-32-9Formula C25H37NO5SMolar mass 463.64 g/mol
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Mdl 73404 chemical structure, C25H37NO5S, CAS 130573-32-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
130573-32-9
Formula
C25H37NO5S
Molar mass
463.64 g/mol
HS code
293299
Category
Acid, base and phase-transfer catalysts

What is Mdl 73404?

Plain description, key identifiers and synonyms

Mdl 73404 is a chemical substance with the molecular formula C25H37NO5S and a molar mass of 463.64 g/mol. Its CAS registry number is 130573-32-9. The IUPAC name is 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium, 4-methylbenzenesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium, 4-methylbenzenesulfonate
CAS number
130573-32-9 CAS number cross-checked
Molecular formula
C25H37NO5S
InChIKey
OCKUZZXXLQTSON-UHFFFAOYSA-N
InChI
InChI=1S/C18H29NO2.C7H8O3S/c1-12-13(2)17-15(14(3)16(12)20)8-9-18(4,21-17)10-11-19(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-11H2,1-7H3;2-5H,1H3,(H,8,9,10)
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C2=C(CCC(O2)(C)CC[N+](C)(C)C)C(=C1O)C)C

Synonyms

  • DHHBE
  • MDL 74405
  • 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium, 4-methylbenzenesulfonate
  • 3,4-Dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethanaminium 4-methylbenzenesulfonate
  • 2H-1-Benzopyran-2-ethanaminium, 3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

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
463.64 g/molcalc.
Exact mass
463.2392 Dacalc.
LogP (octanol/water)
4.4calc.
Topological polar surface area
86.66 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc2c(c1)CCCO2

c1ccc2c(c1)CCCO2

2 rings, 10 atoms, the Chroman ring system.

4,102 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.

Mdl 73404 suppliers

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Mdl 73404 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 Mdl 73404 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 Mdl 73404 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mdl 73404, based on the data on this page

What is Mdl 73404?

Mdl 73404 is a chemical substance with the molecular formula C25H37NO5S and a molar mass of 463.64 g/mol. Its CAS registry number is 130573-32-9. The IUPAC name is 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium, 4-methylbenzenesulfonate.

What is the CAS number of Mdl 73404?

The CAS registry number of Mdl 73404 is 130573-32-9.

What is the molecular formula and weight of Mdl 73404?

The molecular formula of Mdl 73404 is C25H37NO5S and its molar mass is 463.64 g/mol.

Is Mdl 73404 hazardous?

No GHS hazard classification for Mdl 73404 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 Mdl 73404?

Mdl 73404 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 Mdl 73404?

Post a free request on CompoundList and suppliers of Mdl 73404 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mdl 73404?

Suppliers quote Mdl 73404 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 Mdl 73404

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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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