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Screening compounds

b3cHCaAdCP

Also known as 4-propyl-Cyclohexanecarboxylic acid 2,3-dicyano-1,4-phenylene ester, Cyclohexanecarboxylic acid, 4-propyl-, 1,1a(2)-(2,3-dicyano-1,4-phenylene) ester

CAS 2227142-02-9Formula C28H36N2O4Molar mass 464.61 g/mol
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b3cHCaAdCP chemical structure, C28H36N2O4, CAS 2227142-02-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2227142-02-9
Formula
C28H36N2O4
Molar mass
464.61 g/mol
HS code
292690
Category
Screening compounds

What is b3cHCaAdCP?

Plain description, key identifiers and synonyms

b3cHCaAdCP is a chemical substance with the molecular formula C28H36N2O4 and a molar mass of 464.61 g/mol. Its CAS registry number is 2227142-02-9. The IUPAC name is [2,3-dicyano-4-(4-propylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2,3-dicyano-4-(4-propylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CAS number
2227142-02-9
Molecular formula
C28H36N2O4
InChIKey
IXJWACSDDVRTBR-UHFFFAOYSA-N
InChI
InChI=1S/C28H36N2O4/c1-3-5-19-7-11-21(12-8-19)27(31)33-25-15-16-26(24(18-30)23(25)17-29)34-28(32)22-13-9-20(6-4-2)10-14-22/h15-16,19-22H,3-14H2,1-2H3
SMILES (canonical and isomeric)
CCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OC(=O)C3CCC(CC3)CCC)C#N)C#N

Synonyms

  • 4-propyl-Cyclohexanecarboxylic acid 2,3-dicyano-1,4-phenylene ester
  • Cyclohexanecarboxylic acid, 4-propyl-, 1,1a(2)-(2,3-dicyano-1,4-phenylene) ester

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
464.61 g/molcalc.
Exact mass
464.2675 Dacalc.
LogP (octanol/water)
6.45calc.
Topological polar surface area
100.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
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, O=C(Oc1ccc(OC(=O)C2CCCCC2)cc1)C1CCCCC1

O=C(Oc1ccc(OC(=O)C2CCCCC2)cc1)C1CCCCC1

3 rings, 24 atoms.

10 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.

b3cHCaAdCP suppliers

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b3cHCaAdCP 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 b3cHCaAdCP is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for b3cHCaAdCP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about b3cHCaAdCP, based on the data on this page

What is b3cHCaAdCP?

b3cHCaAdCP is a chemical substance with the molecular formula C28H36N2O4 and a molar mass of 464.61 g/mol. Its CAS registry number is 2227142-02-9. The IUPAC name is [2,3-dicyano-4-(4-propylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate.

What is the CAS number of b3cHCaAdCP?

The CAS registry number of b3cHCaAdCP is 2227142-02-9.

What is the molecular formula and weight of b3cHCaAdCP?

The molecular formula of b3cHCaAdCP is C28H36N2O4 and its molar mass is 464.61 g/mol.

What is b3cHCaAdCP used for?

Known uses and roles of b3cHCaAdCP include building blocks in research and laboratory and screening compounds in research and laboratory.

Is b3cHCaAdCP hazardous?

No GHS hazard classification for b3cHCaAdCP 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 b3cHCaAdCP?

b3cHCaAdCP is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy b3cHCaAdCP?

Post a free request on CompoundList and suppliers of b3cHCaAdCP will send you quotes. Your contact details stay private until you accept a quote.

What is the price of b3cHCaAdCP?

Suppliers quote b3cHCaAdCP 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 b3cHCaAdCP

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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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