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Screening compounds

Tofimilast

Also known as CP-325,366, 9-cyclopentyl-5,6-dihydro-7-ethyl-3-(thien-2-yl)-9H-pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine, 5H-Pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine, 9-cyclopentyl-7-ethyl-6,9-dihydro-3-(2-thienyl)-

CAS 185954-27-2Formula C18H21N5SMolar mass 339.47 g/mol
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Tofimilast chemical structure, C18H21N5S, CAS 185954-27-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
185954-27-2
Formula
C18H21N5S
Molar mass
339.47 g/mol
HS code
293499
Category
Screening compounds

What is Tofimilast?

Plain description, key identifiers and synonyms

Tofimilast is a triazolopyridine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
12-cyclopentyl-10-ethyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CAS number
185954-27-2 CAS number cross-checked
Molecular formula
C18H21N5S
UNII
5D7022962A
InChIKey
DHCOPPHTVOXDKU-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
SMILES (canonical and isomeric)
CCC1=NN(C2=C1CCN3C2=NN=C3C4=CC=CS4)C5CCCC5

Synonyms

  • CP-325,366
  • 9-cyclopentyl-5,6-dihydro-7-ethyl-3-(thien-2-yl)-9H-pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine
  • 5H-Pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine, 9-cyclopentyl-7-ethyl-6,9-dihydro-3-(2-thienyl)-
  • tofimilastum
  • 12-cyclopentyl-10-ethyl-5-(thiophen-2-yl)-3,4,6,11,12-pentaazatricyclo(7.3.0.0^(2,6))dodeca-1(9),2,4,10-tetraene
  • 12-cyclopentyl-10-ethyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
  • 9-Cyclopentyl-7-ethyl-3-(thiophen-2-yl)-6,9-dihydro-5H-pyrazolo(3,4-c)-1,2,4-triazolo(4,3-a)pyridine
  • 8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-4H-1,2,3a,7,8-pentaaza-as-indacene
  • Tofimilast (INN/USAN)
  • Tofimilast, >98% (HPLC)
  • 8Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-4H-1,2,3a,7,8-pentaaza-as-indacene
  • 9-cyclopentyl-5,6-dihydro-7-ethyl-3-(thien-2-yl)-9H-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridine
  • 9-Cyclopentyl-7-ethyl-3-(thiophen-2-yl)-6,9-dihydro-5H-pyrazolo[3,4-c][1,2,4]triazolo[4,3-a]pyridine
  • 9-Cyclopentyl-7-ethyl-6,9-dihydro-3-(2-thienyl)-5H-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-a]pyridine

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
339.47 g/molcalc.
Exact mass
339.1518 Dacalc.
LogP (octanol/water)
4.1calc.
Topological polar surface area
48.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.5calc.
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, c1csc(-c2nnc3n2CCc2cnn(C4CCCC4)c2-3)c1

c1csc(-c2nnc3n2CCc2cnn(C4CCCC4)c2-3)c1

5 rings, 22 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.

Tofimilast suppliers

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

Frequently asked questions

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

What is Tofimilast?

Tofimilast is a triazolopyridine.

What is the CAS number of Tofimilast?

The CAS registry number of Tofimilast is 185954-27-2.

What is the molecular formula and weight of Tofimilast?

The molecular formula of Tofimilast is C18H21N5S and its molar mass is 339.47 g/mol.

What is Tofimilast used for?

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

Is Tofimilast hazardous?

No GHS hazard classification for Tofimilast 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 Tofimilast?

Tofimilast 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 Tofimilast?

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

What is the price of Tofimilast?

Suppliers quote Tofimilast 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 Tofimilast

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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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