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Heterocyclic building blocks

RefChem:382159

Also known as 6-(1-phenylethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione

CAS 110960-06-0Formula C15H12N2O2Molar mass 252.27 g/mol
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RefChem:382159 chemical structure, C15H12N2O2, CAS 110960-06-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
110960-06-0
Formula
C15H12N2O2
Molar mass
252.27 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is RefChem:382159?

Plain description, key identifiers and synonyms

RefChem:382159 is a chemical substance with the molecular formula C15H12N2O2 and a molar mass of 252.27 g/mol. Its CAS registry number is 110960-06-0. The IUPAC name is 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CAS number
110960-06-0 CAS number cross-checked
Molecular formula
C15H12N2O2
InChIKey
YCRCAPRXPJNBBR-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O2/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15(17)19/h2-10H,1H3
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)N=CC=C3

Synonyms

  • 6-(1-phenylethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
  • 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione

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
252.27 g/molcalc.
Exact mass
252.0899 Dacalc.
LogP (octanol/water)
2.44calc.
Topological polar surface area
50.27 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
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=C1c2cccnc2C(=O)N1Cc1ccccc1

O=C1c2cccnc2C(=O)N1Cc1ccccc1

3 rings, 18 atoms, the 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine ring system.

3 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.

RefChem:382159 suppliers

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RefChem:382159 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 RefChem:382159 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for RefChem:382159 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:382159, based on the data on this page

What is RefChem:382159?

RefChem:382159 is a chemical substance with the molecular formula C15H12N2O2 and a molar mass of 252.27 g/mol. Its CAS registry number is 110960-06-0. The IUPAC name is 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

What is the CAS number of RefChem:382159?

The CAS registry number of RefChem:382159 is 110960-06-0.

What is the molecular formula and weight of RefChem:382159?

The molecular formula of RefChem:382159 is C15H12N2O2 and its molar mass is 252.27 g/mol.

What is RefChem:382159 used for?

Known uses and roles of RefChem:382159 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is RefChem:382159 hazardous?

No GHS hazard classification for RefChem:382159 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 RefChem:382159?

RefChem:382159 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:382159?

Post a free request on CompoundList and suppliers of RefChem:382159 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:382159?

Suppliers quote RefChem:382159 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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