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Screening compounds

Cassythicine

Also known as (+)-Cassythicine, (+)-N-Methylactinodaphnine, (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol

CAS 5890-28-8Formula C19H19NO4Molar mass 325.36 g/mol
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Cassythicine chemical structure, C19H19NO4, CAS 5890-28-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5890-28-8
Formula
C19H19NO4
Molar mass
325.36 g/mol
HS code
293499
Category
Screening compounds

What is Cassythicine?

Plain description, key identifiers and synonyms

(+)-Cassythicine is an aporphine alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
CAS number
5890-28-8 CAS number cross-checked
Molecular formula
C19H19NO4
InChIKey
MPWZJVCAMFAIGV-ZDUSSCGKSA-N
InChI
InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
Canonical SMILES
COc1cc2c(cc1O)CC1c3c(cc4c(c3-2)OCO4)CCN1C
Isomeric SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)O)OCO3

Synonyms

  • (+)-Cassythicine
  • (+)-N-Methylactinodaphnine
  • (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
  • (7aS)-11-Methoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-10-ol

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
325.36 g/molcalc.
Exact mass
325.1314 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
51.16 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
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, c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

5 rings, 20 atoms.

96 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.

Cassythicine suppliers

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

Frequently asked questions

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

What is Cassythicine?

(+)-Cassythicine is an aporphine alkaloid.

What is the CAS number of Cassythicine?

The CAS registry number of Cassythicine is 5890-28-8.

What is the molecular formula and weight of Cassythicine?

The molecular formula of Cassythicine is C19H19NO4 and its molar mass is 325.36 g/mol.

What is Cassythicine used for?

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

Is Cassythicine hazardous?

No GHS hazard classification for Cassythicine 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 Cassythicine?

Cassythicine 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 Cassythicine?

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

What is the price of Cassythicine?

Suppliers quote Cassythicine 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 Cassythicine

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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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