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Screening compounds

Cassythine

Also known as Cassyfiline, (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol, (7aS)-4,11-Dimethoxy-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-10-ol

CAS 4030-51-7Formula C19H19NO5Molar mass 341.36 g/mol
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Cassythine chemical structure, C19H19NO5, CAS 4030-51-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4030-51-7
Formula
C19H19NO5
Molar mass
341.36 g/mol
HS code
293499
Category
Screening compounds

What is Cassythine?

Plain description, key identifiers and synonyms

Cassyfiline is an aporphine alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol
CAS number
4030-51-7 CAS number cross-checked
Molecular formula
C19H19NO5
InChIKey
FZXIOJQNDYKPCE-LBPRGKRZSA-N
InChI
InChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1
Canonical SMILES
COc1cc2c(cc1O)CC1NCCc3c(OC)c4c(c-2c31)OCO4
Isomeric SMILES
COC1=C(C=C2C[C@H]3C4=C(CCN3)C(=C5C(=C4C2=C1)OCO5)OC)O

Synonyms

  • Cassyfiline
  • (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol
  • (7aS)-4,11-Dimethoxy-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
341.36 g/molcalc.
Exact mass
341.1263 Dacalc.
LogP (octanol/water)
2.55calc.
Topological polar surface area
69.18 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
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.

Cassythine suppliers

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Where suppliers are based

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

Frequently asked questions

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

What is Cassythine?

Cassyfiline is an aporphine alkaloid.

What is the CAS number of Cassythine?

The CAS registry number of Cassythine is 4030-51-7.

What is the molecular formula and weight of Cassythine?

The molecular formula of Cassythine is C19H19NO5 and its molar mass is 341.36 g/mol.

What is Cassythine used for?

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

Is Cassythine hazardous?

No GHS hazard classification for Cassythine 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 Cassythine?

Cassythine 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 Cassythine?

CompoundList lists 1 supplier of Cassythine 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 Cassythine?

Suppliers quote Cassythine 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 Cassythine

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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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