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Screening compounds

b4cHCaAB

Also known as 4-Butylcyclohexanecarboxylic acid [1,1'-biphenyl]-4,4'-diyl ester, 4'a[(1s,4r)a4aButylcyclohexanecarbonyloxy]a[1,1'abiphenyl]a4ayl (1s,4r)a4abutylcyclohexanea1acarboxylate

CAS 398138-22-2Formula C34H46O4Molar mass 518.74 g/mol
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b4cHCaAB chemical structure, C34H46O4, CAS 398138-22-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
398138-22-2
Formula
C34H46O4
Molar mass
518.74 g/mol
HS code
291620
Category
Screening compounds

What is b4cHCaAB?

Plain description, key identifiers and synonyms

b4cHCaAB is a chemical substance with the molecular formula C34H46O4 and a molar mass of 518.74 g/mol. Its CAS registry number is 398138-22-2. The IUPAC name is [4-[4-(4-butylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-butylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[4-(4-butylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-butylcyclohexane-1-carboxylate
CAS number
398138-22-2
Molecular formula
C34H46O4
InChIKey
RRGHCISJTDTANB-UHFFFAOYSA-N
InChI
InChI=1S/C34H46O4/c1-3-5-7-25-9-13-29(14-10-25)33(35)37-31-21-17-27(18-22-31)28-19-23-32(24-20-28)38-34(36)30-15-11-26(12-16-30)8-6-4-2/h17-26,29-30H,3-16H2,1-2H3
SMILES (canonical and isomeric)
CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

Synonyms

  • 4-Butylcyclohexanecarboxylic acid [1,1'-biphenyl]-4,4'-diyl ester
  • 4'a[(1s,4r)a4aButylcyclohexanecarbonyloxy]a[1,1'abiphenyl]a4ayl (1s,4r)a4abutylcyclohexanea1acarboxylate

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
518.74 g/molcalc.
Exact mass
518.3396 Dacalc.
LogP (octanol/water)
9.16calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
11calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, O=C(Oc1ccc(-c2ccc(OC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1

O=C(Oc1ccc(-c2ccc(OC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1

4 rings, 30 atoms.

2 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.

b4cHCaAB suppliers

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b4cHCaAB 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 b4cHCaAB 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 b4cHCaAB is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about b4cHCaAB, based on the data on this page

What is b4cHCaAB?

b4cHCaAB is a chemical substance with the molecular formula C34H46O4 and a molar mass of 518.74 g/mol. Its CAS registry number is 398138-22-2. The IUPAC name is [4-[4-(4-butylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-butylcyclohexane-1-carboxylate.

What is the CAS number of b4cHCaAB?

The CAS registry number of b4cHCaAB is 398138-22-2.

What is the molecular formula and weight of b4cHCaAB?

The molecular formula of b4cHCaAB is C34H46O4 and its molar mass is 518.74 g/mol.

What is b4cHCaAB used for?

Known uses and roles of b4cHCaAB include building blocks in research and laboratory and screening compounds in research and laboratory.

Is b4cHCaAB hazardous?

No GHS hazard classification for b4cHCaAB 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 b4cHCaAB?

b4cHCaAB 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 b4cHCaAB?

Post a free request on CompoundList and suppliers of b4cHCaAB will send you quotes. Your contact details stay private until you accept a quote.

What is the price of b4cHCaAB?

Suppliers quote b4cHCaAB 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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