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Screening compounds

Asengeprast

Also known as 2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid, 2-(((E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl)amino)benzoic acid, Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-

CAS 1001288-58-9Formula C20H17NO5Molar mass 351.36 g/mol
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Asengeprast chemical structure, C20H17NO5, CAS 1001288-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1001288-58-9
Formula
C20H17NO5
Molar mass
351.36 g/mol
HS code
292429
Category
Screening compounds

What is Asengeprast?

Plain description, key identifiers and synonyms

Asengeprast is a chemical substance with the molecular formula C20H17NO5 and a molar mass of 351.36 g/mol. Its CAS registry number is 1001288-58-9. The IUPAC name is 2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
CAS number
1001288-58-9
Molecular formula
C20H17NO5
UNII
C6V7ZU2NPR
MDL number
MFCD28502026
InChIKey
UIWZIDIJCUEOMT-PKNBQFBNSA-N
InChI
InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+
Canonical SMILES
C#CCOc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#C

Synonyms

  • 2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
  • 2-(((E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl)amino)benzoic acid
  • Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-
  • 2-(3-Methoxy-4-propargyloxycinnamoyl)aminobenzoic acid
  • (E)-2-(3-(3-Methoxy-4-(prop-2-yn-1-yloxy)phenyl)acrylamido)benzoic acid
  • (E)-2-[[3-(3-methoxy-4-propargyloxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid
  • Benzoic acid, 2-(((2E)-3-(3-methoxy-4-(2-propyn-1-yloxy)phenyl)-1-oxo-2-propen-1-yl)amino)-
  • FT011?
  • example 27
  • (E)-2-[[3-(3-methoxy-4-(prop-2-ynyloxy)phenyl)-1-oxo-2-propenyl]amino]benzoic acid
  • 2-[(2E)-3-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}prop-2-enamido]benzoic acid
  • 2-[[(E)-3-(3-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid
  • 2-(((2E)-3-(3-Methoxy-4-(2-propyn-1-yloxy)phenyl)-1-oxo-2-propen-1-yl)amino)benzoic acid

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
351.36 g/molcalc.
Exact mass
351.1107 Dacalc.
LogP (octanol/water)
3.06calc.
Topological polar surface area
84.86 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.1calc.
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=Cc1ccccc1)Nc1ccccc1

O=C(C=Cc1ccccc1)Nc1ccccc1

2 rings, 17 atoms.

1,928 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.

Asengeprast suppliers

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Asengeprast 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

Roles

  • anti-inflammatory agent

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 Asengeprast is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Asengeprast?

Asengeprast is a chemical substance with the molecular formula C20H17NO5 and a molar mass of 351.36 g/mol. Its CAS registry number is 1001288-58-9. The IUPAC name is 2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid.

What is the CAS number of Asengeprast?

The CAS registry number of Asengeprast is 1001288-58-9.

What is the molecular formula and weight of Asengeprast?

The molecular formula of Asengeprast is C20H17NO5 and its molar mass is 351.36 g/mol.

What is Asengeprast used for?

Known uses and roles of Asengeprast include building blocks in research and laboratory, screening compounds in research and laboratory and anti-inflammatory agent.

Is Asengeprast hazardous?

No GHS hazard classification for Asengeprast 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 Asengeprast?

Asengeprast is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asengeprast?

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

What is the price of Asengeprast?

Suppliers quote Asengeprast 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 Asengeprast

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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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