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Screening compounds

Jtk-101

Also known as Benzonitrile, 4-((3,4-dihydro-9-methoxy-4-oxospiro(2H-naphth(2,1-E)-1,3-oxazine-2,4'-piperidin)-1'-yl)methyl)-, 4-[(9-methoxy-4-oxospiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile, 4-((9-methoxy-4-oxo-3,4-dihydrospiro[naphtho[2,1-e][1,3]oxazine-2,4'-piperidin]-1'-yl)methyl)benzonitrile

CAS 503048-34-8Formula C25H23N3O3Molar mass 413.48 g/mol
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Jtk-101 chemical structure, C25H23N3O3, CAS 503048-34-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
503048-34-8
Formula
C25H23N3O3
Molar mass
413.48 g/mol
HS code
293499
Category
Screening compounds

What is Jtk-101?

Plain description, key identifiers and synonyms

Jtk-101 is a chemical substance with the molecular formula C25H23N3O3 and a molar mass of 413.48 g/mol. Its CAS registry number is 503048-34-8. The IUPAC name is 4-[(9-methoxy-4-oxospiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(9-methoxy-4-oxospiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile
CAS number
503048-34-8
Molecular formula
C25H23N3O3
UNII
51734Z58WS
InChIKey
IFFDMBLMXJBGLL-UHFFFAOYSA-N
InChI
InChI=1S/C25H23N3O3/c1-30-20-8-6-19-7-9-21-23(22(19)14-20)31-25(27-24(21)29)10-12-28(13-11-25)16-18-4-2-17(15-26)3-5-18/h2-9,14H,10-13,16H2,1H3,(H,27,29)
SMILES (canonical and isomeric)
COC1=CC2=C(C=C1)C=CC3=C2OC4(CCN(CC4)CC5=CC=C(C=C5)C#N)NC3=O

Synonyms

  • Benzonitrile, 4-((3,4-dihydro-9-methoxy-4-oxospiro(2H-naphth(2,1-E)-1,3-oxazine-2,4'-piperidin)-1'-yl)methyl)-
  • 4-[(9-methoxy-4-oxospiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile
  • 4-((9-methoxy-4-oxo-3,4-dihydrospiro[naphtho[2,1-e][1,3]oxazine-2,4'-piperidin]-1'-yl)methyl)benzonitrile
  • 4-[(9-Methoxy-4-oxo-3,4-dihydro-1'H-spiro[naphtho[2,1-e][1,3]oxazine-2,4'-piperidin]-1'-yl)methyl]benzonitrile
  • 4-[(9-methoxy-4-oxo-spiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile

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
413.48 g/molcalc.
Exact mass
413.1739 Dacalc.
LogP (octanol/water)
3.83calc.
Topological polar surface area
74.59 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.28calc.
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=C1NC2(CCN(Cc3ccccc3)CC2)Oc2c1ccc1ccccc21

O=C1NC2(CCN(Cc3ccccc3)CC2)Oc2c1ccc1ccccc21

5 rings, 27 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.

Jtk-101 suppliers

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Jtk-101 price

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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 Jtk-101 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 Jtk-101 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Jtk-101, based on the data on this page

What is Jtk-101?

Jtk-101 is a chemical substance with the molecular formula C25H23N3O3 and a molar mass of 413.48 g/mol. Its CAS registry number is 503048-34-8. The IUPAC name is 4-[(9-methoxy-4-oxospiro[3H-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile.

What is the CAS number of Jtk-101?

The CAS registry number of Jtk-101 is 503048-34-8.

What is the molecular formula and weight of Jtk-101?

The molecular formula of Jtk-101 is C25H23N3O3 and its molar mass is 413.48 g/mol.

What is Jtk-101 used for?

Known uses and roles of Jtk-101 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Jtk-101 hazardous?

No GHS hazard classification for Jtk-101 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 Jtk-101?

Jtk-101 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 Jtk-101?

Post a free request on CompoundList and suppliers of Jtk-101 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Jtk-101?

Suppliers quote Jtk-101 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 Jtk-101

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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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