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Screening compounds

5bcHCaA3bcH

Also known as 4-(4-propylcyclohexyl)cyclohexyl 4-(4-pentylcyclohexyl)cyclohexanecarboxylate, [1,1a(2)-Bicyclohexyl]-4-carboxylic acid, 4a(2)-pentyl-, (trans,trans)-4a(2)-propyl[1,1a(2)-bicyclohexyl]-4-yl ester, (trans,trans)-

CAS 960158-22-9Formula C33H58O2Molar mass 486.83 g/mol
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5bcHCaA3bcH chemical structure, C33H58O2, CAS 960158-22-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
960158-22-9
Formula
C33H58O2
Molar mass
486.83 g/mol
HS code
291620
Category
Screening compounds

What is 5bcHCaA3bcH?

Plain description, key identifiers and synonyms

5bcHCaA3bcH is a chemical substance with the molecular formula C33H58O2 and a molar mass of 486.83 g/mol. Its CAS registry number is 960158-22-9. The IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-(4-propylcyclohexyl)cyclohexyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CAS number
960158-22-9
Molecular formula
C33H58O2
InChIKey
YPHGVUDOKNRTNM-UHFFFAOYSA-N
InChI
InChI=1S/C33H58O2/c1-3-5-6-8-26-11-15-27(16-12-26)29-17-19-31(20-18-29)33(34)35-32-23-21-30(22-24-32)28-13-9-25(7-4-2)10-14-28/h25-32H,3-24H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)C4CCC(CC4)CCC

Synonyms

  • 4-(4-propylcyclohexyl)cyclohexyl 4-(4-pentylcyclohexyl)cyclohexanecarboxylate
  • [1,1a(2)-Bicyclohexyl]-4-carboxylic acid, 4a(2)-pentyl-, (trans,trans)-4a(2)-propyl[1,1a(2)-bicyclohexyl]-4-yl ester, (trans,trans)-

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
486.83 g/molcalc.
Exact mass
486.4437 Dacalc.
LogP (octanol/water)
9.89calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
10calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
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(C2CCCCC2)CC1)C1CCC(C2CCCCC2)CC1

O=C(OC1CCC(C2CCCCC2)CC1)C1CCC(C2CCCCC2)CC1

4 rings, 27 atoms.

3 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.

5bcHCaA3bcH suppliers

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5bcHCaA3bcH price

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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 5bcHCaA3bcH is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

The HS code shown for 5bcHCaA3bcH is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5bcHCaA3bcH, based on the data on this page

What is 5bcHCaA3bcH?

5bcHCaA3bcH is a chemical substance with the molecular formula C33H58O2 and a molar mass of 486.83 g/mol. Its CAS registry number is 960158-22-9. The IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate.

What is the CAS number of 5bcHCaA3bcH?

The CAS registry number of 5bcHCaA3bcH is 960158-22-9.

What is the molecular formula and weight of 5bcHCaA3bcH?

The molecular formula of 5bcHCaA3bcH is C33H58O2 and its molar mass is 486.83 g/mol.

What is 5bcHCaA3bcH used for?

Known uses and roles of 5bcHCaA3bcH include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5bcHCaA3bcH hazardous?

No GHS hazard classification for 5bcHCaA3bcH 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 5bcHCaA3bcH?

5bcHCaA3bcH is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5bcHCaA3bcH?

Post a free request on CompoundList and suppliers of 5bcHCaA3bcH will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5bcHCaA3bcH?

Suppliers quote 5bcHCaA3bcH 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

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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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