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Screening compounds

Renierone

Also known as (7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate

CAS 73777-65-8Formula C17H17NO5Molar mass 315.33 g/mol
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Renierone chemical structure, C17H17NO5, CAS 73777-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
73777-65-8
Formula
C17H17NO5
Molar mass
315.33 g/mol
HS code
293349
Category
Screening compounds

What is Renierone?

Plain description, key identifiers and synonyms

Renierone has been reported in Xestospongia, Cribrochalina, and Reniera.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
CAS number
73777-65-8
Molecular formula
C17H17NO5
InChIKey
JGSPEFLRDJUZIE-UITAMQMPSA-N
InChI
InChI=1S/C17H17NO5/c1-5-9(2)17(21)23-8-12-13-11(6-7-18-12)14(19)10(3)16(22-4)15(13)20/h5-7H,8H2,1-4H3/b9-5-
Canonical SMILES
CC=C(C)C(=O)OCc1nccc2c1C(=O)C(OC)=C(C)C2=O
Isomeric SMILES
C/C=C(/C)\C(=O)OCC1=NC=CC2=C1C(=O)C(=C(C2=O)C)OC

Synonyms

  • (7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate

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
315.33 g/molcalc.
Exact mass
315.1107 Dacalc.
LogP (octanol/water)
2.39calc.
Topological polar surface area
82.56 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.29calc.
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=C1C=CC(=O)c2cnccc21

O=C1C=CC(=O)c2cnccc21

2 rings, 12 atoms, the 5,8-Isoquinolinedione ring system.

22 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.

Renierone suppliers

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Renierone 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 Renierone is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Renierone?

Renierone has been reported in Xestospongia, Cribrochalina, and Reniera.

What is the CAS number of Renierone?

The CAS registry number of Renierone is 73777-65-8.

What is the molecular formula and weight of Renierone?

The molecular formula of Renierone is C17H17NO5 and its molar mass is 315.33 g/mol.

What is Renierone used for?

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

Is Renierone hazardous?

No GHS hazard classification for Renierone 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 Renierone?

Renierone is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Renierone?

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

What is the price of Renierone?

Suppliers quote Renierone 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 Renierone

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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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