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Screening compounds

NK 252

Also known as Bis((5-ethylpyridin-2-yl)methyl) 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, bis[(5-ethylpyridin-2-yl)methyl] 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

CAS 126444-11-9Formula C29H33N3O6Molar mass 519.60 g/mol
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NK 252 chemical structure, C29H33N3O6, CAS 126444-11-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126444-11-9
Formula
C29H33N3O6
Molar mass
519.60 g/mol
HS code
293499
Category
Screening compounds

What is NK 252?

Plain description, key identifiers and synonyms

NK 252 is a chemical substance with the molecular formula C29H33N3O6 and a molar mass of 519.60 g/mol. Its CAS registry number is 126444-11-9. The IUPAC name is bis[(5-ethyl-2-pyridinyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis[(5-ethyl-2-pyridinyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS number
126444-11-9 CAS number cross-checked
Molecular formula
C29H33N3O6
InChIKey
YWKFGWNTDPFJIZ-UHFFFAOYSA-N
InChI
InChI=1S/C29H33N3O6/c1-5-20-7-9-22(30-13-20)15-37-28(33)25-18(3)32-19(4)26(27(25)24-17-35-11-12-36-24)29(34)38-16-23-10-8-21(6-2)14-31-23/h7-10,13-14,17,27,32H,5-6,11-12,15-16H2,1-4H3
SMILES (canonical and isomeric)
CCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C

Synonyms

  • Bis((5-ethylpyridin-2-yl)methyl) 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • bis[(5-ethylpyridin-2-yl)methyl] 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
  • 3,5-Pyridinedicarboxylic acid, 4-(5,6-dihydro-1,4-dioxin-2-yl)-1,4-dihydro-2,6-dimethyl-, bis((5-ethyl-2-pyridinyl)methyl) ester

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
519.60 g/molcalc.
Exact mass
519.2369 Dacalc.
LogP (octanol/water)
4.04calc.
Topological polar surface area
108.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C(OCc1ccccn1)C1=CNC=C(C(=O)OCc2ccccn2)C1C1=COCCO1

O=C(OCc1ccccn1)C1=CNC=C(C(=O)OCc2ccccn2)C1C1=COCCO1

4 rings, 32 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.

NK 252 suppliers

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NK 252 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 NK 252 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 NK 252 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about NK 252, based on the data on this page

What is NK 252?

NK 252 is a chemical substance with the molecular formula C29H33N3O6 and a molar mass of 519.60 g/mol. Its CAS registry number is 126444-11-9. The IUPAC name is bis[(5-ethyl-2-pyridinyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

What is the CAS number of NK 252?

The CAS registry number of NK 252 is 126444-11-9.

What is the molecular formula and weight of NK 252?

The molecular formula of NK 252 is C29H33N3O6 and its molar mass is 519.60 g/mol.

What is NK 252 used for?

Known uses and roles of NK 252 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is NK 252 hazardous?

No GHS hazard classification for NK 252 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 NK 252?

NK 252 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 NK 252?

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What is the price of NK 252?

Suppliers quote NK 252 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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