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Screening compounds

Nepenthone

Also known as Methanone, ((5alpha,7alpha)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)phenyl-

CAS 464-66-4Formula C28H29NO4Molar mass 443.54 g/mol
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Nepenthone chemical structure, C28H29NO4, CAS 464-66-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
464-66-4
Formula
C28H29NO4
Molar mass
443.54 g/mol
HS code
293499
Category
Screening compounds

What is Nepenthone?

Plain description, key identifiers and synonyms

Nepenthone is a chemical substance with the molecular formula C28H29NO4 and a molar mass of 443.54 g/mol. Its CAS registry number is 464-66-4. The IUPAC name is [(1R,2S,6R,14R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-phenylmethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,6R,14R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-phenylmethanone
CAS number
464-66-4
Molecular formula
C28H29NO4
InChIKey
VPHUGMTYIBMWQC-WTIAEKEISA-N
InChI
InChI=1S/C28H29NO4/c1-29-14-13-27-22-18-9-10-20(31-2)24(22)33-25(27)28(32-3)12-11-26(27,21(29)15-18)16-19(28)23(30)17-7-5-4-6-8-17/h4-12,19,21,25H,13-16H2,1-3H3/t19-,21-,25-,26-,27+,28?/m1/s1
Canonical SMILES
COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(=O)c4ccccc4)C(C2)N(C)CCC315
Isomeric SMILES
CN1CC[C@]23[C@@H]4C5(C=C[C@]2([C@H]1CC6=C3C(=C(C=C6)OC)O4)C[C@@H]5C(=O)C7=CC=CC=C7)OC

Synonyms

  • Methanone, ((5alpha,7alpha)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)phenyl-

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
443.54 g/molcalc.
Exact mass
443.2097 Dacalc.
LogP (octanol/water)
3.8calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
8calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C(c1ccccc1)C1CC23C=CC1C1Oc4cccc5c4C12CCNC3C5

O=C(c1ccccc1)C1CC23C=CC1C1Oc4cccc5c4C12CCNC3C5

8 rings, 28 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.

Nepenthone suppliers

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

Frequently asked questions

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

What is Nepenthone?

Nepenthone is a chemical substance with the molecular formula C28H29NO4 and a molar mass of 443.54 g/mol. Its CAS registry number is 464-66-4. The IUPAC name is [(1R,2S,6R,14R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-phenylmethanone.

What is the CAS number of Nepenthone?

The CAS registry number of Nepenthone is 464-66-4.

What is the molecular formula and weight of Nepenthone?

The molecular formula of Nepenthone is C28H29NO4 and its molar mass is 443.54 g/mol.

What is Nepenthone used for?

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

Is Nepenthone hazardous?

No GHS hazard classification for Nepenthone 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 Nepenthone?

Nepenthone 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 Nepenthone?

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What is the price of Nepenthone?

Suppliers quote Nepenthone 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 Nepenthone

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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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