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Heterocyclic building blocks

Emd 56431

Also known as EMD 56 431, 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridinyl)-, trans-(+-)-

CAS 123595-75-5Formula C17H16N2O3Molar mass 296.33 g/mol
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Emd 56431 chemical structure, C17H16N2O3, CAS 123595-75-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
123595-75-5
Formula
C17H16N2O3
Molar mass
296.33 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Emd 56431?

Plain description, key identifiers and synonyms

Emd 56431 is a chemical substance with the molecular formula C17H16N2O3 and a molar mass of 296.33 g/mol. Its CAS registry number is 123595-75-5. The IUPAC name is (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbonitrile
CAS number
123595-75-5
Molecular formula
C17H16N2O3
InChIKey
MMSFHQSHXRMPLJ-JKSUJKDBSA-N
InChI
InChI=1S/C17H16N2O3/c1-17(2)16(21)15(19-8-4-3-5-14(19)20)12-9-11(10-18)6-7-13(12)22-17/h3-9,15-16,21H,1-2H3/t15-,16+/m0/s1
Canonical SMILES
CC1(C)Oc2ccc(C#N)cc2C(n2ccccc2=O)C1O
Isomeric SMILES
CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)O)C

Synonyms

  • EMD 56 431
  • 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridinyl)-, trans-(+-)-

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
296.33 g/molcalc.
Exact mass
296.1161 Dacalc.
LogP (octanol/water)
1.84calc.
Topological polar surface area
75.25 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
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, O=c1ccccn1C1CCOc2ccccc21

O=c1ccccn1C1CCOc2ccccc21

3 rings, 17 atoms.

1 other chemical 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.

Emd 56431 suppliers

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Emd 56431 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

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 Emd 56431 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 Emd 56431 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emd 56431, based on the data on this page

What is Emd 56431?

Emd 56431 is a chemical substance with the molecular formula C17H16N2O3 and a molar mass of 296.33 g/mol. Its CAS registry number is 123595-75-5. The IUPAC name is (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbonitrile.

What is the CAS number of Emd 56431?

The CAS registry number of Emd 56431 is 123595-75-5.

What is the molecular formula and weight of Emd 56431?

The molecular formula of Emd 56431 is C17H16N2O3 and its molar mass is 296.33 g/mol.

What is Emd 56431 used for?

Known uses and roles of Emd 56431 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Emd 56431 hazardous?

No GHS hazard classification for Emd 56431 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 Emd 56431?

Emd 56431 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 Emd 56431?

Post a free request on CompoundList and suppliers of Emd 56431 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Emd 56431?

Suppliers quote Emd 56431 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 Emd 56431

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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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