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Screening compounds

Dcpib

Also known as 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid, 4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid, 4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acid

CAS 82749-70-0Formula C22H28Cl2O4Molar mass 427.37 g/molEC 636-002-9
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe)
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Dcpib chemical structure, C22H28Cl2O4, CAS 82749-70-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82749-70-0
Formula
C22H28Cl2O4
Molar mass
427.37 g/mol
EC number
636-002-9
HS code
291899
Category
Screening compounds

What is Dcpib?

Plain description, key identifiers and synonyms

4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid is a member of indanones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
CAS number
82749-70-0 CAS number cross-checked
EC number
636-002-9
Molecular formula
C22H28Cl2O4
MDL number
MFCD07783995
InChIKey
KHKGTPJPBOQECW-UHFFFAOYSA-N
InChI
InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)
SMILES (canonical and isomeric)
CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3

Synonyms

  • 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
  • 4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid
  • 4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acid
  • 4-[(2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-5-indanyl)oxy]butanoic Acid
  • 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic Acid
  • 4-[(2-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acid
  • 4-(2-butyl-6,7-dichloro-2-cyclopentylindan-1-on-5-yl)oxybutyric acid
  • 4-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-indan-5-yl)oxybutanoic acid
  • (+) 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acid
  • (-) 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic 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
427.37 g/molcalc.
Exact mass
426.1365 Dacalc.
LogP (octanol/water)
6.34calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1c2ccccc2CC1C1CCCC1

O=C1c2ccccc2CC1C1CCCC1

3 rings, 15 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
  • H318Causes serious eye damage.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (12)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Dcpib suppliers

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Dcpib 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 Dcpib is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Dcpib?

4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid is a member of indanones.

What is the CAS number of Dcpib?

The CAS registry number of Dcpib is 82749-70-0.

What is the molecular formula and weight of Dcpib?

The molecular formula of Dcpib is C22H28Cl2O4 and its molar mass is 427.37 g/mol.

What is Dcpib used for?

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

Is Dcpib hazardous?

Dcpib carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes serious eye damage, may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dcpib?

Dcpib is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dcpib?

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What is the price of Dcpib?

Suppliers quote Dcpib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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