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Screening compounds

Orb1298001

Also known as (E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide

CAS 2234271-86-2Formula C23H24N2O3Molar mass 376.46 g/mol
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Orb1298001 chemical structure, C23H24N2O3, CAS 2234271-86-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2234271-86-2
Formula
C23H24N2O3
Molar mass
376.46 g/mol
HS code
293399
Category
Screening compounds

What is Orb1298001?

Plain description, key identifiers and synonyms

Orb1298001 is a chemical substance with the molecular formula C23H24N2O3 and a molar mass of 376.46 g/mol. Its CAS registry number is 2234271-86-2. The IUPAC name is (E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide
CAS number
2234271-86-2
Molecular formula
C23H24N2O3
InChIKey
BNTYDBBGNPFECO-VAWYXSNFSA-N
InChI
InChI=1S/C23H24N2O3/c1-3-15-28-20-9-5-4-7-17(20)13-14-24-22(26)12-11-18-16-25-23-19(18)8-6-10-21(23)27-2/h3-12,16,25H,1,13-15H2,2H3,(H,24,26)/b12-11+
Canonical SMILES
C=CCOc1ccccc1CCNC(=O)C=Cc1c[nH]c2c(OC)cccc12
Isomeric SMILES
COC1=CC=CC2=C1NC=C2/C=C/C(=O)NCCC3=CC=CC=C3OCC=C

Synonyms

  • (E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide

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
376.46 g/molcalc.
Exact mass
376.1787 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
63.35 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.17calc.
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=C(C=Cc1c[nH]c2ccccc12)NCCc1ccccc1

O=C(C=Cc1c[nH]c2ccccc12)NCCc1ccccc1

3 rings, 22 atoms.

3 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.

Orb1298001 suppliers

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Orb1298001 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 Orb1298001 is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1298001 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1298001, based on the data on this page

What is Orb1298001?

Orb1298001 is a chemical substance with the molecular formula C23H24N2O3 and a molar mass of 376.46 g/mol. Its CAS registry number is 2234271-86-2. The IUPAC name is (E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide.

What is the CAS number of Orb1298001?

The CAS registry number of Orb1298001 is 2234271-86-2.

What is the molecular formula and weight of Orb1298001?

The molecular formula of Orb1298001 is C23H24N2O3 and its molar mass is 376.46 g/mol.

What is Orb1298001 used for?

Known uses and roles of Orb1298001 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1298001 hazardous?

No GHS hazard classification for Orb1298001 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 Orb1298001?

Orb1298001 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1298001?

Post a free request on CompoundList and suppliers of Orb1298001 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1298001?

Suppliers quote Orb1298001 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 Orb1298001

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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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