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Heterocyclic building blocks

Phakelline

Also known as (12aS)-2-Imino-1,2,3,5,6,12a-hexahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one, 2-Imino-1,2,3,5,6,12a-hexahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one

CAS 33051-47-7Formula C11H13N5OMolar mass 231.26 g/mol
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Phakelline chemical structure, C11H13N5O, CAS 33051-47-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33051-47-7
Formula
C11H13N5O
Molar mass
231.26 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Phakelline?

Plain description, key identifiers and synonyms

Phakelline is a chemical substance with the molecular formula C11H13N5O and a molar mass of 231.26 g/mol. Its CAS registry number is 33051-47-7. The IUPAC name is (5R)-3-amino-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R)-3-amino-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one
CAS number
33051-47-7 CAS number cross-checked
Molecular formula
C11H13N5O
InChIKey
DBYKPFUBHBFDQT-FTNKSUMCSA-N
InChI
InChI=1S/C11H13N5O/c12-10-13-9-11(14-10)4-2-6-16(11)8(17)7-3-1-5-15(7)9/h1,3,5,9H,2,4,6H2,(H3,12,13,14)/t9-,11?/m0/s1
Canonical SMILES
NC1=NC2n3cccc3C(=O)N3CCCC23N1
Isomeric SMILES
C1CC23[C@@H](N=C(N2)N)N4C=CC=C4C(=O)N3C1

Synonyms

  • (12aS)-2-Imino-1,2,3,5,6,12a-hexahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one
  • 2-Imino-1,2,3,5,6,12a-hexahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one

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
231.26 g/molcalc.
Exact mass
231.112 Dacalc.
LogP (octanol/water)
-0.15calc.
Topological polar surface area
75.65 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
17calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, O=C1c2cccn2C2N=CNC23CCCN13

O=C1c2cccn2C2N=CNC23CCCN13

4 rings, 16 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.

Phakelline suppliers

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Phakelline 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 Phakelline is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phakelline?

Phakelline is a chemical substance with the molecular formula C11H13N5O and a molar mass of 231.26 g/mol. Its CAS registry number is 33051-47-7. The IUPAC name is (5R)-3-amino-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one.

What is the CAS number of Phakelline?

The CAS registry number of Phakelline is 33051-47-7.

What is the molecular formula and weight of Phakelline?

The molecular formula of Phakelline is C11H13N5O and its molar mass is 231.26 g/mol.

What is Phakelline used for?

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

Is Phakelline hazardous?

No GHS hazard classification for Phakelline 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 Phakelline?

Phakelline is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phakelline?

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

What is the price of Phakelline?

Suppliers quote Phakelline 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 Phakelline

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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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