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Screening compounds

alpha3IA

Also known as I+/-3IA, methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylate, 3-(4-Methoxy-phenyl)-1-methyl-6-oxo-1,6-dihydro-[2,4'']bipyridinyl-5-carboxylic acid methyl ester

CAS 433217-18-6Formula C20H18N2O4Molar mass 350.37 g/mol
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alpha3IA chemical structure, C20H18N2O4, CAS 433217-18-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
433217-18-6
Formula
C20H18N2O4
Molar mass
350.37 g/mol
HS code
293339
Category
Screening compounds

What is alpha3IA?

Plain description, key identifiers and synonyms

alpha3IA is a chemical substance with the molecular formula C20H18N2O4 and a molar mass of 350.37 g/mol. Its CAS registry number is 433217-18-6. The IUPAC name is methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-pyridin-4-ylpyridine-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-pyridin-4-ylpyridine-3-carboxylate
CAS number
433217-18-6
Molecular formula
C20H18N2O4
InChIKey
LENMNEQXCQXJHV-UHFFFAOYSA-N
InChI
InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3
SMILES (canonical and isomeric)
CN1C(=C(C=C(C1=O)C(=O)OC)C2=CC=C(C=C2)OC)C3=CC=NC=C3

Synonyms

  • I+/-3IA
  • methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylate
  • 3-(4-Methoxy-phenyl)-1-methyl-6-oxo-1,6-dihydro-[2,4'']bipyridinyl-5-carboxylic acid 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
350.37 g/molcalc.
Exact mass
350.1267 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
70.42 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1ccc(-c2ccccc2)c(-c2ccncc2)[nH]1

O=c1ccc(-c2ccccc2)c(-c2ccncc2)[nH]1

3 rings, 19 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.

alpha3IA suppliers

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alpha3IA 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 alpha3IA is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for alpha3IA is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about alpha3IA, based on the data on this page

What is alpha3IA?

alpha3IA is a chemical substance with the molecular formula C20H18N2O4 and a molar mass of 350.37 g/mol. Its CAS registry number is 433217-18-6. The IUPAC name is methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-pyridin-4-ylpyridine-3-carboxylate.

What is the CAS number of alpha3IA?

The CAS registry number of alpha3IA is 433217-18-6.

What is the molecular formula and weight of alpha3IA?

The molecular formula of alpha3IA is C20H18N2O4 and its molar mass is 350.37 g/mol.

What is alpha3IA used for?

Known uses and roles of alpha3IA include building blocks in research and laboratory and screening compounds in research and laboratory.

Is alpha3IA hazardous?

No GHS hazard classification for alpha3IA 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 alpha3IA?

alpha3IA is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha3IA?

Post a free request on CompoundList and suppliers of alpha3IA will send you quotes. Your contact details stay private until you accept a quote.

What is the price of alpha3IA?

Suppliers quote alpha3IA 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 alpha3IA

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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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