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Screening compounds

Aplysinal

Also known as (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-3a-carbaldehyde, (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-carbaldehyde, (3S,3aS,8bS)-7-Bromo-3,6,8b-trimethyl-1,2,3,8b-tetrahydro-3aH-benzo[b]cyclopenta[d]furan-3a-carbaldehyde

CAS 64052-99-9Formula C15H17BrO2Molar mass 309.20 g/mol
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Aplysinal chemical structure, C15H17BrO2, CAS 64052-99-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64052-99-9
Formula
C15H17BrO2
Molar mass
309.20 g/mol
HS code
293299
Category
Screening compounds

What is Aplysinal?

Plain description, key identifiers and synonyms

Aplysinal is a chemical substance with the molecular formula C15H17BrO2 and a molar mass of 309.20 g/mol. Its CAS registry number is 64052-99-9. The IUPAC name is (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-carbaldehyde.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-carbaldehyde
CAS number
64052-99-9 CAS number cross-checked
Molecular formula
C15H17BrO2
InChIKey
VRWMUPPZOHFLPX-LKTVYLICSA-N
InChI
InChI=1S/C15H17BrO2/c1-9-6-13-11(7-12(9)16)14(3)5-4-10(2)15(14,8-17)18-13/h6-8,10H,4-5H2,1-3H3/t10-,14-,15-/m0/s1
Canonical SMILES
Cc1cc2c(cc1Br)C1(C)CCC(C)C1(C=O)O2
Isomeric SMILES
C[C@H]1CC[C@@]2([C@]1(OC3=C2C=C(C(=C3)C)Br)C=O)C

Synonyms

  • (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-3a-carbaldehyde
  • (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-carbaldehyde
  • (3S,3aS,8bS)-7-Bromo-3,6,8b-trimethyl-1,2,3,8b-tetrahydro-3aH-benzo[b]cyclopenta[d]furan-3a-carbaldehyde

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
309.20 g/molcalc.
Exact mass
308.0412 Dacalc.
LogP (octanol/water)
3.78calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c(c1)OC1CCCC21

c1ccc2c(c1)OC1CCCC21

3 rings, 12 atoms.

23 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.

Aplysinal suppliers

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

Frequently asked questions

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

What is Aplysinal?

Aplysinal is a chemical substance with the molecular formula C15H17BrO2 and a molar mass of 309.20 g/mol. Its CAS registry number is 64052-99-9. The IUPAC name is (3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-carbaldehyde.

What is the CAS number of Aplysinal?

The CAS registry number of Aplysinal is 64052-99-9.

What is the molecular formula and weight of Aplysinal?

The molecular formula of Aplysinal is C15H17BrO2 and its molar mass is 309.20 g/mol.

What is Aplysinal used for?

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

Is Aplysinal hazardous?

No GHS hazard classification for Aplysinal 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 Aplysinal?

Aplysinal 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 Aplysinal?

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

What is the price of Aplysinal?

Suppliers quote Aplysinal 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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