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Screening compounds

Aba-dmnb

CAS 1947375-16-7Formula C24H29NO8Molar mass 459.50 g/mol
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Aba-dmnb chemical structure, C24H29NO8, CAS 1947375-16-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1947375-16-7
Formula
C24H29NO8
Molar mass
459.50 g/mol
HS code
291899
Category
Screening compounds

What is Aba-dmnb?

Plain description, key identifiers and synonyms

Aba-dmnb is a chemical substance with the molecular formula C24H29NO8 and a molar mass of 459.50 g/mol. Its CAS registry number is 1947375-16-7. The IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4,5-dimethoxy-2-nitrophenyl)methyl (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate
CAS number
1947375-16-7
Molecular formula
C24H29NO8
InChIKey
AZAQZTMPTGDUAW-HLAATSECSA-N
InChI
InChI=1S/C24H29NO8/c1-15(7-8-24(28)16(2)10-18(26)13-23(24,3)4)9-22(27)33-14-17-11-20(31-5)21(32-6)12-19(17)25(29)30/h7-12,28H,13-14H2,1-6H3/b8-7+,15-9-/t24-/m1/s1
Canonical SMILES
COc1cc(COC(=O)C=C(C)C=CC2(O)C(C)=CC(=O)CC2(C)C)c([N+](=O)[O-])cc1OC
Isomeric SMILES
CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C)O)(C)C

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
459.50 g/molcalc.
Exact mass
459.1893 Dacalc.
LogP (octanol/water)
3.83calc.
Topological polar surface area
125.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1C=CC(C=CC=CC(=O)OCc2ccccc2)CC1

O=C1C=CC(C=CC=CC(=O)OCc2ccccc2)CC1

2 rings, 21 atoms.

No other chemical in our database has 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.

Aba-dmnb suppliers

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Aba-dmnb 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 Aba-dmnb is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Aba-dmnb, based on the data on this page

What is Aba-dmnb?

Aba-dmnb is a chemical substance with the molecular formula C24H29NO8 and a molar mass of 459.50 g/mol. Its CAS registry number is 1947375-16-7. The IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate.

What is the CAS number of Aba-dmnb?

The CAS registry number of Aba-dmnb is 1947375-16-7.

What is the molecular formula and weight of Aba-dmnb?

The molecular formula of Aba-dmnb is C24H29NO8 and its molar mass is 459.50 g/mol.

What is Aba-dmnb used for?

Known uses and roles of Aba-dmnb include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Aba-dmnb hazardous?

No GHS hazard classification for Aba-dmnb 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 Aba-dmnb?

Aba-dmnb is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aba-dmnb?

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What is the price of Aba-dmnb?

Suppliers quote Aba-dmnb 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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