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Heterocyclic building blocks

Pha-568487

Also known as N-(3R)-1-Azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide, 1,4-Benzodioxin-6-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-, PHA 568487

CAS 527680-56-4Formula C16H20N2O3Molar mass 288.35 g/mol
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Pha-568487 chemical structure, C16H20N2O3, CAS 527680-56-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
527680-56-4
Formula
C16H20N2O3
Molar mass
288.35 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Pha-568487?

Plain description, key identifiers and synonyms

Pha-568487 is a chemical substance with the molecular formula C16H20N2O3 and a molar mass of 288.35 g/mol. Its CAS registry number is 527680-56-4. The IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CAS number
527680-56-4 CAS number cross-checked
Molecular formula
C16H20N2O3
UNII
C9IF5SIJ2I
InChIKey
LUVXHMJTVXZFPD-ZDUSSCGKSA-N
InChI
InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
Canonical SMILES
O=C(NC1CN2CCC1CC2)c1ccc2c(c1)OCCO2
Isomeric SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(C=C3)OCCO4

Synonyms

  • N-(3R)-1-Azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide
  • 1,4-Benzodioxin-6-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-
  • PHA 568487
  • PHA 568487 free base
  • PHA 568487 (free base)
  • N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
  • (R)-N-(Quinuclidin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
  • N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide fumarate
  • N-(1-Azabicyclo[2.2.2]oct-3(R)-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
  • N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide(2E)-2-butenedioate

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
288.35 g/molcalc.
Exact mass
288.1474 Dacalc.
LogP (octanol/water)
1.28calc.
Topological polar surface area
50.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
21calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C(NC1CN2CCC1CC2)c1ccc2c(c1)OCCO2

O=C(NC1CN2CCC1CC2)c1ccc2c(c1)OCCO2

5 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.

Pha-568487 suppliers

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Pha-568487 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 Pha-568487 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Pha-568487 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pha-568487, based on the data on this page

What is Pha-568487?

Pha-568487 is a chemical substance with the molecular formula C16H20N2O3 and a molar mass of 288.35 g/mol. Its CAS registry number is 527680-56-4. The IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

What is the CAS number of Pha-568487?

The CAS registry number of Pha-568487 is 527680-56-4.

What is the molecular formula and weight of Pha-568487?

The molecular formula of Pha-568487 is C16H20N2O3 and its molar mass is 288.35 g/mol.

What is Pha-568487 used for?

Known uses and roles of Pha-568487 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pha-568487 hazardous?

No GHS hazard classification for Pha-568487 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 Pha-568487?

Pha-568487 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pha-568487?

Post a free request on CompoundList and suppliers of Pha-568487 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pha-568487?

Suppliers quote Pha-568487 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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