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Screening compounds

Neoduleen

Also known as 7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene, 7,11,17,19,23-pentaoxahexacyclo(11.10.0.02,10.04,8.014,22.016,20)tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene

CAS 238-67-5Formula C18H10O5Molar mass 306.27 g/mol
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Neoduleen chemical structure, C18H10O5, CAS 238-67-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
238-67-5
Formula
C18H10O5
Molar mass
306.27 g/mol
HS code
293299
Category
Screening compounds

What is Neoduleen?

Plain description, key identifiers and synonyms

Neoduleen is a member of pterocarpans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene
CAS number
238-67-5
Molecular formula
C18H10O5
InChIKey
YHDQXDYABIYVHP-UHFFFAOYSA-N
InChI
InChI=1S/C18H10O5/c1-2-19-13-5-14-11(3-9(1)13)18-12(7-20-14)10-4-16-17(22-8-21-16)6-15(10)23-18/h1-6H,7-8H2
SMILES (canonical and isomeric)
C1C2=C(C3=C(O1)C=C4C(=C3)C=CO4)OC5=CC6=C(C=C25)OCO6

Synonyms

  • 7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene
  • 7,11,17,19,23-pentaoxahexacyclo(11.10.0.02,10.04,8.014,22.016,20)tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene

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
306.27 g/molcalc.
Exact mass
306.0528 Dacalc.
LogP (octanol/water)
4.47calc.
Topological polar surface area
53.97 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
23calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.11calc.
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, c1cc2cc3c(cc2o1)OCc1c-3oc2cc3c(cc12)OCO3

c1cc2cc3c(cc2o1)OCc1c-3oc2cc3c(cc12)OCO3

6 rings, 23 atoms. This chemical is the scaffold itself.

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.

Neoduleen suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Neoduleen 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 Neoduleen is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Neoduleen?

Neoduleen is a member of pterocarpans.

What is the CAS number of Neoduleen?

The CAS registry number of Neoduleen is 238-67-5.

What is the molecular formula and weight of Neoduleen?

The molecular formula of Neoduleen is C18H10O5 and its molar mass is 306.27 g/mol.

What is Neoduleen used for?

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

Is Neoduleen hazardous?

No GHS hazard classification for Neoduleen 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 Neoduleen?

Neoduleen is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neoduleen?

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

What is the price of Neoduleen?

Suppliers quote Neoduleen 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 Neoduleen

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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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