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Screening compounds

Degrasyn

Also known as 2-cyano-N-(1-phenylbutyl)-3-(6-bromopyridin-2-yl)acrylamide, Degrasyn (WP1130), (S,E)-3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylbutyl)acrylamide

CAS 856243-80-6Formula C19H18BrN3OMolar mass 384.28 g/mol
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Degrasyn chemical structure, C19H18BrN3O, CAS 856243-80-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
856243-80-6
Formula
C19H18BrN3O
Molar mass
384.28 g/mol
HS code
293339
Category
Screening compounds

What is Degrasyn?

Plain description, key identifiers and synonyms

Degrasyn is a chemical substance with the molecular formula C19H18BrN3O and a molar mass of 384.28 g/mol. Its CAS registry number is 856243-80-6. The IUPAC name is (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide
CAS number
856243-80-6 CAS number cross-checked
Molecular formula
C19H18BrN3O
MDL number
MFCD18839228
InChIKey
LIDOPKHSVQTSJY-VMEIHUARSA-N
InChI
InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1
Canonical SMILES
CCCC(NC(=O)C(C#N)=Cc1cccc(Br)n1)c1ccccc1
Isomeric SMILES
CCC[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N

Synonyms

  • 2-cyano-N-(1-phenylbutyl)-3-(6-bromopyridin-2-yl)acrylamide
  • Degrasyn (WP1130)
  • (S,E)-3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylbutyl)acrylamide
  • WP 1130
  • WP1130(Degrasyn)
  • (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide
  • (2E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide
  • (2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]-2-propenamide
  • Degrasyn(WP1130)
  • Degrasyn, WP1130
  • Sdccgsbi-0654413.p001
  • (S,E)-3-(6-Bromo-2-pyridyl)-2-cyano-N-(1-phenylbutyl)acrylamide
  • (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide
  • 2-Propenamide, 3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]-, (2E)-

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
384.28 g/molcalc.
Exact mass
383.0633 Dacalc.
LogP (octanol/water)
4.41calc.
Topological polar surface area
65.78 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
1calc.
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=Cc1ccccn1)NCc1ccccc1

O=C(C=Cc1ccccn1)NCc1ccccc1

2 rings, 18 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.

Degrasyn suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Degrasyn 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 Degrasyn is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Degrasyn?

Degrasyn is a chemical substance with the molecular formula C19H18BrN3O and a molar mass of 384.28 g/mol. Its CAS registry number is 856243-80-6. The IUPAC name is (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide.

What is the CAS number of Degrasyn?

The CAS registry number of Degrasyn is 856243-80-6.

What is the molecular formula and weight of Degrasyn?

The molecular formula of Degrasyn is C19H18BrN3O and its molar mass is 384.28 g/mol.

What is Degrasyn used for?

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

Is Degrasyn hazardous?

No GHS hazard classification for Degrasyn 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 Degrasyn?

Degrasyn is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Degrasyn?

CompoundList lists 3 suppliers of Degrasyn in United States and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Degrasyn?

Suppliers quote Degrasyn on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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