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Screening compounds

Angustine

Also known as 19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one, 19-ethenyl-3,13,17-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one, ACon1_001438

CAS 40041-96-1Formula C20H15N3OMolar mass 313.36 g/mol
1 supplier listed
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Angustine chemical structure, C20H15N3O, CAS 40041-96-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40041-96-1
Formula
C20H15N3O
Molar mass
313.36 g/mol
HS code
293399
Category
Screening compounds

What is Angustine?

Plain description, key identifiers and synonyms

Angustine is a member of beta-carbolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
CAS number
40041-96-1 CAS number cross-checked
Molecular formula
C20H15N3O
InChIKey
FACXQEOSOVJIPD-UHFFFAOYSA-N
InChI
InChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2
SMILES (canonical and isomeric)
C=CC1=CN=CC2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4

Synonyms

  • 19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
  • 19-ethenyl-3,13,17-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
  • ACon1_001438
  • Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 1-ethenyl-8,13-dihydro-
  • Angustin
  • 1-Ethenyl-8,13-dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-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
313.36 g/molcalc.
Exact mass
313.1215 Dacalc.
LogP (octanol/water)
3.74calc.
Topological polar surface area
50.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12

O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12

5 rings, 22 atoms, the Parvine ring system.

5 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.

Angustine suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Angustine?

Angustine is a member of beta-carbolines.

What is the CAS number of Angustine?

The CAS registry number of Angustine is 40041-96-1.

What is the molecular formula and weight of Angustine?

The molecular formula of Angustine is C20H15N3O and its molar mass is 313.36 g/mol.

What is Angustine used for?

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

Is Angustine hazardous?

No GHS hazard classification for Angustine 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 Angustine?

Angustine 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 Angustine?

CompoundList lists 1 supplier of Angustine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Angustine?

Suppliers quote Angustine 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 Angustine

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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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