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Screening compounds

3bcHCaA5cH

Also known as 4-Pentylcyclohexanecarboxylic acid 4'-propyl[1,1'-bicyclohexyl]-4-yl ester, [trans[trans(trans)]]-4-Pentylcyclohexanecarboxylic acid 4'-propyl[1,1'-bicyclohexyl]-4-yl ester

CAS 102714-87-4Formula C27H48O2Molar mass 404.68 g/mol
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3bcHCaA5cH chemical structure, C27H48O2, CAS 102714-87-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
102714-87-4
Formula
C27H48O2
Molar mass
404.68 g/mol
HS code
291620
Category
Screening compounds

What is 3bcHCaA5cH?

Plain description, key identifiers and synonyms

3bcHCaA5cH is a chemical substance with the molecular formula C27H48O2 and a molar mass of 404.68 g/mol. Its CAS registry number is 102714-87-4. The IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-(4-propylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CAS number
102714-87-4
Molecular formula
C27H48O2
InChIKey
DKJZHFTXLRZLDU-UHFFFAOYSA-N
InChI
InChI=1S/C27H48O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(28)29-26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h21-26H,3-20H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCC

Synonyms

  • 4-Pentylcyclohexanecarboxylic acid 4'-propyl[1,1'-bicyclohexyl]-4-yl ester
  • [trans[trans(trans)]]-4-Pentylcyclohexanecarboxylic acid 4'-propyl[1,1'-bicyclohexyl]-4-yl 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
404.68 g/molcalc.
Exact mass
404.3654 Dacalc.
LogP (octanol/water)
8.08calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
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)C1CCCCC1

O=C(OC1CCC(C2CCCCC2)CC1)C1CCCCC1

3 rings, 21 atoms.

1 other chemical 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.

3bcHCaA5cH suppliers

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3bcHCaA5cH 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 3bcHCaA5cH 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 3bcHCaA5cH is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3bcHCaA5cH, based on the data on this page

What is 3bcHCaA5cH?

3bcHCaA5cH is a chemical substance with the molecular formula C27H48O2 and a molar mass of 404.68 g/mol. Its CAS registry number is 102714-87-4. The IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate.

What is the CAS number of 3bcHCaA5cH?

The CAS registry number of 3bcHCaA5cH is 102714-87-4.

What is the molecular formula and weight of 3bcHCaA5cH?

The molecular formula of 3bcHCaA5cH is C27H48O2 and its molar mass is 404.68 g/mol.

What is 3bcHCaA5cH used for?

Known uses and roles of 3bcHCaA5cH include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3bcHCaA5cH hazardous?

No GHS hazard classification for 3bcHCaA5cH 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 3bcHCaA5cH?

3bcHCaA5cH 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 3bcHCaA5cH?

Post a free request on CompoundList and suppliers of 3bcHCaA5cH will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3bcHCaA5cH?

Suppliers quote 3bcHCaA5cH 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 3bcHCaA5cH

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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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