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Screening compounds

BF 126

Also known as 4-(2-(2-benzoimidazolyl)ethenyl)-N,N-diethylbenzenamine, Benzenamine, 4-(2-(1H-benzimidazol-2-yl)ethenyl)-N,N-diethyl-, mono(4-methylbenzenesulfonate), Benzenamine, 4-[2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethyl-, 4-methylbenzenesulfonate (1:1)

CAS 666826-27-3Formula C26H29N3O3SMolar mass 463.60 g/mol
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BF 126 chemical structure, C26H29N3O3S, CAS 666826-27-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
666826-27-3
Formula
C26H29N3O3S
Molar mass
463.60 g/mol
HS code
293399
Category
Screening compounds

What is BF 126?

Plain description, key identifiers and synonyms

BF 126 is a chemical substance with the molecular formula C26H29N3O3S and a molar mass of 463.60 g/mol. Its CAS registry number is 666826-27-3. The IUPAC name is 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline, 4-methylbenzenesulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline, 4-methylbenzenesulfonic acid
CAS number
666826-27-3
Molecular formula
C26H29N3O3S
InChIKey
CCCFPXPTFYRLGJ-JHGYPSGKSA-N
InChI
InChI=1S/C19H21N3.C7H8O3S/c1-3-22(4-2)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)21-19;1-6-2-4-7(5-3-6)11(8,9)10/h5-14H,3-4H2,1-2H3,(H,20,21);2-5H,1H3,(H,8,9,10)/b14-11+;
Canonical SMILES
CCN(CC)c1ccc(C=Cc2nc3ccccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)O)cc1
Isomeric SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2.CC1=CC=C(C=C1)S(=O)(=O)O

Synonyms

  • 4-(2-(2-benzoimidazolyl)ethenyl)-N,N-diethylbenzenamine
  • Benzenamine, 4-(2-(1H-benzimidazol-2-yl)ethenyl)-N,N-diethyl-, mono(4-methylbenzenesulfonate)
  • Benzenamine, 4-[2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethyl-, 4-methylbenzenesulfonate (1:1)
  • 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline, 4-methylbenzenesulfonic acid

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
463.60 g/molcalc.
Exact mass
463.193 Dacalc.
LogP (octanol/water)
5.82calc.
Topological polar surface area
86.29 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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, C(=Cc1nc2ccccc2[nH]1)c1ccccc1

C(=Cc1nc2ccccc2[nH]1)c1ccccc1

3 rings, 17 atoms.

207 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.

BF 126 suppliers

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BF 126 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 BF 126 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for BF 126 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about BF 126, based on the data on this page

What is BF 126?

BF 126 is a chemical substance with the molecular formula C26H29N3O3S and a molar mass of 463.60 g/mol. Its CAS registry number is 666826-27-3. The IUPAC name is 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline, 4-methylbenzenesulfonic acid.

What is the CAS number of BF 126?

The CAS registry number of BF 126 is 666826-27-3.

What is the molecular formula and weight of BF 126?

The molecular formula of BF 126 is C26H29N3O3S and its molar mass is 463.60 g/mol.

What is BF 126 used for?

Known uses and roles of BF 126 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is BF 126 hazardous?

No GHS hazard classification for BF 126 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 BF 126?

BF 126 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy BF 126?

Post a free request on CompoundList and suppliers of BF 126 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of BF 126?

Suppliers quote BF 126 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 BF 126

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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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