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Screening compounds

Alinastine

Also known as 2-(1-(p-tert-Butylphenethyl)-4-piperidyl)-1-(2-ethoxyethyl)benzimidazole, 2-(1-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)piperidin-4-yl)-1-(2-ethoxyethyl)-1H-benzimidazole, 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole

CAS 154541-72-7Formula C28H39N3OMolar mass 433.64 g/mol
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Alinastine chemical structure, C28H39N3O, CAS 154541-72-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
154541-72-7
Formula
C28H39N3O
Molar mass
433.64 g/mol
HS code
293339
Category
Screening compounds

What is Alinastine?

Plain description, key identifiers and synonyms

Alinastine is a chemical substance with the molecular formula C28H39N3O and a molar mass of 433.64 g/mol. Its CAS registry number is 154541-72-7. The IUPAC name is 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole
CAS number
154541-72-7 CAS number cross-checked
Molecular formula
C28H39N3O
UNII
FDP9A2F6YL
InChIKey
NPWTVYBPSXCRPM-UHFFFAOYSA-N
InChI
InChI=1S/C28H39N3O/c1-5-32-21-20-31-26-9-7-6-8-25(26)29-27(31)23-15-18-30(19-16-23)17-14-22-10-12-24(13-11-22)28(2,3)4/h6-13,23H,5,14-21H2,1-4H3
SMILES (canonical and isomeric)
CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C

Synonyms

  • 2-(1-(p-tert-Butylphenethyl)-4-piperidyl)-1-(2-ethoxyethyl)benzimidazole
  • 2-(1-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)piperidin-4-yl)-1-(2-ethoxyethyl)-1H-benzimidazole
  • 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole
  • Benzimidazole, 2-(1-(p-tert-butylphenethyl)-4-piperidyl)-1-(2-ethoxyethyl)-
  • Alinastina
  • 2-(1-(p-tert-Bytylphenethyl)-4-piperidyl)-1-(2-ethoxyethyl)benzimidazole
  • US10106522, Example 5 in EP 0580541
  • 2-{1-[2-(4-tert-Butylphenyl)ethyl]piperidin-4-yl}-1-(2-ethoxyethyl)-1H-1,3-benzimidazole

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
433.64 g/molcalc.
Exact mass
433.3093 Dacalc.
LogP (octanol/water)
5.79calc.
Topological polar surface area
30.29 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

4 rings, 23 atoms.

21 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.

Alinastine suppliers

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

Frequently asked questions

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

What is Alinastine?

Alinastine is a chemical substance with the molecular formula C28H39N3O and a molar mass of 433.64 g/mol. Its CAS registry number is 154541-72-7. The IUPAC name is 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole.

What is the CAS number of Alinastine?

The CAS registry number of Alinastine is 154541-72-7.

What is the molecular formula and weight of Alinastine?

The molecular formula of Alinastine is C28H39N3O and its molar mass is 433.64 g/mol.

What is Alinastine used for?

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

Is Alinastine hazardous?

No GHS hazard classification for Alinastine 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 Alinastine?

Alinastine 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 Alinastine?

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

What is the price of Alinastine?

Suppliers quote Alinastine 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 Alinastine

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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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