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Screening compounds

Johnstonol

Also known as 3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol, (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo(6.4.1.01,6.010,12)tridecan-9-ol, (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol

CAS 35671-09-1Formula C15H21Br2ClO3Molar mass 444.59 g/mol
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Johnstonol chemical structure, C15H21Br2ClO3, CAS 35671-09-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35671-09-1
Formula
C15H21Br2ClO3
Molar mass
444.59 g/mol
HS code
293299
Category
Screening compounds

What is Johnstonol?

Plain description, key identifiers and synonyms

Johnstonol has been reported in Laurencia okamurae.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
CAS number
35671-09-1 CAS number cross-checked
Molecular formula
C15H21Br2ClO3
InChIKey
GQTRVJJQEJXMFF-UHFFFAOYSA-N
InChI
InChI=1S/C15H21Br2ClO3/c1-11(2)14-5-7(16)12(3,18)6-8(14)20-15(11,17)9(19)10-13(14,4)21-10/h7-10,19H,5-6H2,1-4H3
SMILES (canonical and isomeric)
CC1(C23CC(C(CC2OC1(C(C4C3(O4)C)O)Br)(C)Cl)Br)C

Synonyms

  • 3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
  • (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo(6.4.1.01,6.010,12)tridecan-9-ol
  • (1R,3S,4S,8S,9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
  • (9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo(6.4.1.01,6.010,12)tridecan-9-ol
  • (9R,10R,12S)-3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-ol
  • 3,8-dibromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo(6.4.1.01,6.010,12)tridecan-9-ol
  • 3,7-dibromo-6-chloro-6,8b,9,9-tetramethyloctahydro-4aH-3,8a-methanooxireno[d][1]benzoxepin-2-ol

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
444.59 g/molcalc.
Exact mass
441.9546 Dacalc.
LogP (octanol/water)
3.58calc.
Topological polar surface area
41.99 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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, C1CCC23CC(CC4OC42)OC3C1

C1CCC23CC(CC4OC42)OC3C1

4 rings, 13 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.

Johnstonol suppliers

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Johnstonol 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 Johnstonol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Johnstonol?

Johnstonol has been reported in Laurencia okamurae.

What is the CAS number of Johnstonol?

The CAS registry number of Johnstonol is 35671-09-1.

What is the molecular formula and weight of Johnstonol?

The molecular formula of Johnstonol is C15H21Br2ClO3 and its molar mass is 444.59 g/mol.

What is Johnstonol used for?

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

Is Johnstonol hazardous?

No GHS hazard classification for Johnstonol 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 Johnstonol?

Johnstonol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Johnstonol?

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

What is the price of Johnstonol?

Suppliers quote Johnstonol 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 Johnstonol

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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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