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Screening compounds

Oxystemofoline

CAS 139750-70-2Formula C22H29NO6Molar mass 403.48 g/mol
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Oxystemofoline chemical structure, C22H29NO6, CAS 139750-70-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
139750-70-2
Formula
C22H29NO6
Molar mass
403.48 g/mol
HS code
293499
Category
Screening compounds

What is Oxystemofoline?

Plain description, key identifiers and synonyms

Oxystemofoline is a chemical substance with the molecular formula C22H29NO6 and a molar mass of 403.48 g/mol. Its CAS registry number is 139750-70-2. The IUPAC name is (5Z)-5-[(1S,4R)-9-(4-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5Z)-5-[(1S,4R)-9-(4-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
CAS number
139750-70-2
Molecular formula
C22H29NO6
InChIKey
JAHUCJRURRJKRD-NLYUDPPDSA-N
InChI
InChI=1S/C22H29NO6/c1-11-16-13-10-15-21(7-4-5-9-24)14(6-8-23(13)21)22(16,28-15)29-18(11)19-17(26-3)12(2)20(25)27-19/h11,13-16,24H,4-10H2,1-3H3/b19-18-/t11-,13?,14?,15?,16?,21?,22-/m1/s1
Canonical SMILES
COC1=C(C)C(=O)OC1=C1OC23OC4CC(C2C1C)N1CCC3C41CCCCO
Isomeric SMILES
C[C@@H]\1C2C3CC4C5(N3CCC5[C@@]2(O4)O/C1=C\6/C(=C(C(=O)O6)C)OC)CCCCO

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
403.48 g/molcalc.
Exact mass
403.1995 Dacalc.
LogP (octanol/water)
2.06calc.
Topological polar surface area
77.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
8calc.
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(=C2CC3C4CC5OC3(O2)C2CCN4C52)O1

O=C1C=CC(=C2CC3C4CC5OC3(O2)C2CCN4C52)O1

6 rings, 20 atoms.

4 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.

Oxystemofoline suppliers

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

Frequently asked questions

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

What is Oxystemofoline?

Oxystemofoline is a chemical substance with the molecular formula C22H29NO6 and a molar mass of 403.48 g/mol. Its CAS registry number is 139750-70-2. The IUPAC name is (5Z)-5-[(1S,4R)-9-(4-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one.

What is the CAS number of Oxystemofoline?

The CAS registry number of Oxystemofoline is 139750-70-2.

What is the molecular formula and weight of Oxystemofoline?

The molecular formula of Oxystemofoline is C22H29NO6 and its molar mass is 403.48 g/mol.

What is Oxystemofoline used for?

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

Is Oxystemofoline hazardous?

No GHS hazard classification for Oxystemofoline 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 Oxystemofoline?

Oxystemofoline 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 Oxystemofoline?

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

What is the price of Oxystemofoline?

Suppliers quote Oxystemofoline 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

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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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