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Screening compounds

Ls-104

Also known as Tyrene CR-4, 2,4-Pentadienamide, 2-cyano-5-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-, (2E,4E)-, LS104 cpd

CAS 368836-72-0Formula C19H16N2O3Molar mass 320.35 g/mol
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Ls-104 chemical structure, C19H16N2O3, CAS 368836-72-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
368836-72-0
Formula
C19H16N2O3
Molar mass
320.35 g/mol
HS code
292690
Category
Screening compounds

What is Ls-104?

Plain description, key identifiers and synonyms

Ls-104 is a chemical substance with the molecular formula C19H16N2O3 and a molar mass of 320.35 g/mol. Its CAS registry number is 368836-72-0. The IUPAC name is (2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
CAS number
368836-72-0 CAS number cross-checkedOther or deprecated CAS: 1110670-40-0
Molecular formula
C19H16N2O3
UNII
T669M1395I
InChIKey
DTCCYSMPUUYHOF-LHQXNBGVSA-N
InChI
InChI=1S/C19H16N2O3/c20-12-16(19(24)21-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17(22)18(23)11-14/h1-11,22-23H,13H2,(H,21,24)/b7-4+,16-8+
Canonical SMILES
N#CC(=CC=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C=C/C2=CC(=C(C=C2)O)O)/C#N

Synonyms

  • Tyrene CR-4
  • 2,4-Pentadienamide, 2-cyano-5-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-, (2E,4E)-
  • LS104 cpd
  • LS 104
  • Tyrene CR4
  • (2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
  • (E,E)-2-(Benzylaminocarbonyl)-3-(3,4-dihydroxystyryl)acrylonitrile
  • 2-(benzylaminocarbonyl)-3-(3,4-dihydroxystyryl)acrylonitrile
  • N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
  • 2-?Cyano-?5-?(3,?4-?dihydroxyphenyl)?-?N-?(phenylmethyl)?-2,?4-?pentadienamide

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
320.35 g/molcalc.
Exact mass
320.1161 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
93.35 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.05calc.
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=CC=Cc1ccccc1)NCc1ccccc1

O=C(C=CC=Cc1ccccc1)NCc1ccccc1

2 rings, 20 atoms, the N-Benzyl-5-phenylpenta-2,4-dienamide ring system.

8 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.

Ls-104 suppliers

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Ls-104 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 Ls-104 is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Ls-104 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ls-104, based on the data on this page

What is Ls-104?

Ls-104 is a chemical substance with the molecular formula C19H16N2O3 and a molar mass of 320.35 g/mol. Its CAS registry number is 368836-72-0. The IUPAC name is (2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide.

What is the CAS number of Ls-104?

The CAS registry number of Ls-104 is 368836-72-0. Other or deprecated CAS numbers: 1110670-40-0.

What is the molecular formula and weight of Ls-104?

The molecular formula of Ls-104 is C19H16N2O3 and its molar mass is 320.35 g/mol.

What is Ls-104 used for?

Known uses and roles of Ls-104 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ls-104 hazardous?

No GHS hazard classification for Ls-104 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 Ls-104?

Ls-104 is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ls-104?

Post a free request on CompoundList and suppliers of Ls-104 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ls-104?

Suppliers quote Ls-104 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 Ls-104

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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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