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Screening compounds

Skf 89976

Also known as Skf 89976A, 1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid, N-(4,4-Diphenyl-3-butenyl)nipecotic acid

CAS 85375-85-5Formula C22H25NO2Molar mass 335.45 g/mol
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Skf 89976 chemical structure, C22H25NO2, CAS 85375-85-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85375-85-5
Formula
C22H25NO2
Molar mass
335.45 g/mol
HS code
293339
Category
Screening compounds

What is Skf 89976?

Plain description, key identifiers and synonyms

1-(4,4-diphenylbut-3-enyl)-3-piperidinecarboxylic acid is a diarylmethane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CAS number
85375-85-5 CAS number cross-checked
Molecular formula
C22H25NO2
UNII
HKU93AZP6B
InChIKey
TXQKSMSLZVKQBI-UHFFFAOYSA-N
InChI
InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)
SMILES (canonical and isomeric)
C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Synonyms

  • Skf 89976A
  • 1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid
  • N-(4,4-Diphenyl-3-butenyl)nipecotic acid
  • SK&F-100561
  • N-(4,4-diphenyl-3-butenyl)piperidine-3-carboxylic acid
  • N-(4,4-Diphenyl-3-butenyl)homo-beta-proline
  • 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
  • 3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-buten-1-yl)-
  • SK&F 89976
  • SK&F 100561
  • Biomol-NT_000246
  • d,l-SKF89976A
  • 85375-15-1(SKF89976A)
  • 3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-
  • Sdccgsbi-0051118.p002
  • SKF89976A, SKF 89976A, SKF-89976A
  • n-(4,4-diphenyl-3-butenyl)-3-piperidinecarboxylic acid
  • 1-(4,4-Diphenyl-3-buten-1-yl)-3-piperidinecarboxylic acid
  • 1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid, hydrochloride

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
335.45 g/molcalc.
Exact mass
335.1885 Dacalc.
LogP (octanol/water)
4.31calc.
Topological polar surface area
40.54 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
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, C(CCN1CCCCC1)=C(c1ccccc1)c1ccccc1

C(CCN1CCCCC1)=C(c1ccccc1)c1ccccc1

3 rings, 22 atoms.

17 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.

Skf 89976 suppliers

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Skf 89976 price

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anticonvulsants
  • GABA Agents

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 Skf 89976 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 Skf 89976 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Skf 89976, based on the data on this page

What is Skf 89976?

1-(4,4-diphenylbut-3-enyl)-3-piperidinecarboxylic acid is a diarylmethane.

What is the CAS number of Skf 89976?

The CAS registry number of Skf 89976 is 85375-85-5.

What is the molecular formula and weight of Skf 89976?

The molecular formula of Skf 89976 is C22H25NO2 and its molar mass is 335.45 g/mol.

What is Skf 89976 used for?

Known uses and roles of Skf 89976 include building blocks in research and laboratory, screening compounds in research and laboratory, anticonvulsants and gaba agents.

Is Skf 89976 hazardous?

No GHS hazard classification for Skf 89976 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 Skf 89976?

Skf 89976 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 Skf 89976?

Post a free request on CompoundList and suppliers of Skf 89976 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Skf 89976?

Suppliers quote Skf 89976 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 Skf 89976

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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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