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Heterocyclic building blocks

Bea6apu49B

Also known as (3aS,7aS)-3a-(3,4-Dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole, 1H-Indole, 3a-(3,4-dimethoxyphenyl)-2,3,3a,4,5,7a-hexahydro-1,6-dimethyl-, (3aS,7aS)-, 3a-(3,4-dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole, (3aS,7aS)-

CAS 3085113-79-4Formula C18H25NO2Molar mass 287.40 g/mol
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Bea6apu49B chemical structure, C18H25NO2, CAS 3085113-79-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3085113-79-4
Formula
C18H25NO2
Molar mass
287.40 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Bea6apu49B?

Plain description, key identifiers and synonyms

Bea6apu49B is a chemical substance with the molecular formula C18H25NO2 and a molar mass of 287.40 g/mol. Its CAS registry number is 3085113-79-4. The IUPAC name is (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole
CAS number
3085113-79-4
Molecular formula
C18H25NO2
UNII
BEA6APU49B
InChIKey
IOQHQHIXEAYJDR-ROUUACIJSA-N
InChI
InChI=1S/C18H25NO2/c1-13-7-8-18(9-10-19(2)17(18)11-13)14-5-6-15(20-3)16(12-14)21-4/h5-6,11-12,17H,7-10H2,1-4H3/t17-,18-/m0/s1
Canonical SMILES
COc1ccc(C23CCC(C)=CC2N(C)CC3)cc1OC
Isomeric SMILES
CC1=C[C@H]2[C@@](CC1)(CCN2C)C3=CC(=C(C=C3)OC)OC

Synonyms

  • (3aS,7aS)-3a-(3,4-Dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole
  • 1H-Indole, 3a-(3,4-dimethoxyphenyl)-2,3,3a,4,5,7a-hexahydro-1,6-dimethyl-, (3aS,7aS)-
  • 3a-(3,4-dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole, (3aS,7aS)-

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
287.40 g/molcalc.
Exact mass
287.1885 Dacalc.
LogP (octanol/water)
3.39calc.
Topological polar surface area
21.7 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C1=CC2NCCC2(c2ccccc2)CC1

C1=CC2NCCC2(c2ccccc2)CC1

3 rings, 15 atoms.

No other chemical in our database has 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.

Bea6apu49B suppliers

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Bea6apu49B 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 Bea6apu49B is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Bea6apu49B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bea6apu49B, based on the data on this page

What is Bea6apu49B?

Bea6apu49B is a chemical substance with the molecular formula C18H25NO2 and a molar mass of 287.40 g/mol. Its CAS registry number is 3085113-79-4. The IUPAC name is (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1,6-dimethyl-3,4,5,7a-tetrahydro-2H-indole.

What is the CAS number of Bea6apu49B?

The CAS registry number of Bea6apu49B is 3085113-79-4.

What is the molecular formula and weight of Bea6apu49B?

The molecular formula of Bea6apu49B is C18H25NO2 and its molar mass is 287.40 g/mol.

What is Bea6apu49B used for?

Known uses and roles of Bea6apu49B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bea6apu49B hazardous?

No GHS hazard classification for Bea6apu49B 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 Bea6apu49B?

Bea6apu49B is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bea6apu49B?

Post a free request on CompoundList and suppliers of Bea6apu49B will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bea6apu49B?

Suppliers quote Bea6apu49B 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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