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Screening compounds

Avanbulin

Also known as Avanbulina, Avanbuline, 3-((4-(1-(2-(4-Aminophenyl)-2-oxoethyl)-1H-benzimidazol2-yl)-1,2,5-oxadiazol-3-yl)amino)propanenitrile

CAS 798577-91-0Formula C20H17N7O2Molar mass 387.40 g/mol
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Avanbulin chemical structure, C20H17N7O2, CAS 798577-91-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
798577-91-0
Formula
C20H17N7O2
Molar mass
387.40 g/mol
HS code
293499
Category
Screening compounds

What is Avanbulin?

Plain description, key identifiers and synonyms

Avanbulin is a chemical substance with the molecular formula C20H17N7O2 and a molar mass of 387.40 g/mol. Its CAS registry number is 798577-91-0. The IUPAC name is 3-[[4-[1-[2-(4-aminophenyl)-2-oxoethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[[4-[1-[2-(4-aminophenyl)-2-oxoethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile
CAS number
798577-91-0
Molecular formula
C20H17N7O2
UNII
Y7KSX9YI58
MDL number
MFCD28502222
InChIKey
LSFOZQQVTWFMNS-UHFFFAOYSA-N
InChI
InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)N)C4=NON=C4NCCC#N

Synonyms

  • Avanbulina
  • Avanbuline
  • 3-((4-(1-(2-(4-Aminophenyl)-2-oxoethyl)-1H-benzimidazol2-yl)-1,2,5-oxadiazol-3-yl)amino)propanenitrile
  • Propanenitrile, 3-((4-(1-(2-(4-aminophenyl)-2-oxoethyl)-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl)amino)-
  • avanbulinum
  • 3-((4-(1-(2-(4-Aminophenyl)-2-oxoethyl)-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-yl)amino)propanenitrile
  • 4o2a
  • 3-[(4-{1-[2-(4-Aminophenyl)-2-Oxoethyl]-1h-Benzimidazol-2-Yl}-1,2,5-Oxadiazol-3-Yl)amino]propanenitrile
  • 3-[[4-[1-[2-(4-aminophenyl)-2-oxoethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile
  • Avanbulin (USAN/INN)
  • BAL 27862
  • WHO 10982
  • 3-(4-{1-[2-(4-Amino-phenyl)-2-oxo-ethyl]-1H-benzoimidazol-2-yl}-furazan-3-ylamino)-propionitrile
  • 3-[[4-[1-[2-(4-aminophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile

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
387.40 g/molcalc.
Exact mass
387.1444 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
135.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
4calc.
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=C(Cn1c(-c2cnon2)nc2ccccc21)c1ccccc1

O=C(Cn1c(-c2cnon2)nc2ccccc21)c1ccccc1

4 rings, 23 atoms.

2 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.

Avanbulin suppliers

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Avanbulin 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

Roles

  • antineoplastic agent
  • pharmaceutical

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

Frequently asked questions

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

What is Avanbulin?

Avanbulin is a chemical substance with the molecular formula C20H17N7O2 and a molar mass of 387.40 g/mol. Its CAS registry number is 798577-91-0. The IUPAC name is 3-[[4-[1-[2-(4-aminophenyl)-2-oxoethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile.

What is the CAS number of Avanbulin?

The CAS registry number of Avanbulin is 798577-91-0.

What is the molecular formula and weight of Avanbulin?

The molecular formula of Avanbulin is C20H17N7O2 and its molar mass is 387.40 g/mol.

What is Avanbulin used for?

Known uses and roles of Avanbulin include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Avanbulin hazardous?

No GHS hazard classification for Avanbulin 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 Avanbulin?

Avanbulin 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 Avanbulin?

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

What is the price of Avanbulin?

Suppliers quote Avanbulin 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 Avanbulin

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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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