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Screening compounds

Ipa-3

Also known as Bis(2-hydroxy-1-naphthyl) disulfide, 1,1'-Dithiodi-2-naphthol, 2-Naphthol, 1,1'-dithiodi-

CAS 42521-82-4Formula C20H14O2S2Molar mass 350.46 g/molEC 631-003-0
GHS signal word: Danger. Pictograms: Corrosive, Hazardous to the environment 5 suppliers listed
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Ipa-3 chemical structure, C20H14O2S2, CAS 42521-82-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
42521-82-4
Formula
C20H14O2S2
Molar mass
350.46 g/mol
EC number
631-003-0
HS code
293090
Category
Screening compounds

What is Ipa-3?

Plain description, key identifiers and synonyms

IPA-3 is an organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of naphthols and an organic disulfide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
CAS number
42521-82-4 CAS number cross-checkedOther or deprecated CAS: 1081767-20-5
EC number
631-003-0
Molecular formula
C20H14O2S2
UNII
3XFG6MQ9G2
MDL number
MFCD00388917
InChIKey
RFAXLXKIAKIUDT-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O

Synonyms

  • Bis(2-hydroxy-1-naphthyl) disulfide
  • 1,1'-Dithiodi-2-naphthol
  • 2-Naphthol, 1,1'-dithiodi-
  • 2-Naphthalenol, 1,1'-dithiobis-
  • 1,1'-disulfanediyldi(naphthalen-2-ol)
  • 1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol
  • IPA 3
  • 1,1'-disulfanediylbis(naphthalen-2-ol)
  • 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
  • 1-[(2-hydroxynaphthyl)disulfanyl]naphthalen-2-ol
  • 1,1'-disulfanediyldinaphthalen-2-ol
  • dihydroxydinaphthyldisulphide
  • 1,1-Disulfanediylbis(naphthalen-2-ol)
  • Sdccgsbi-0207173.p002
  • IPA-3, >=95% (HPLC), powder
  • 1-[(2-hydroxy-1-naphthyl)disulfanyl]naphthalen-2-ol

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
350.46 g/molcalc.
Exact mass
350.0435 Dacalc.
LogP (octanol/water)
6.2calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2c(SSc3cccc4ccccc34)cccc2c1

c1ccc2c(SSc3cccc4ccccc34)cccc2c1

4 rings, 22 atoms, the 1-Naphthyl disulfide ring system.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H318Causes serious eye damage.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ipa-3 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers
  • Angel Pharmatech Ltd.
    China, ShanghaiUnclaimed profile
    Ipa-3Grade, purity and minimum order on request
    Price on request
    View
  • ChemFaces
    China, WuhanUnclaimed profile
    Ipa-3Grade, purity and minimum order on request
    Price on request
    View
  • Excenen Pharmatech Co., Ltd.
    China, GuangzhouUnclaimed profile
    Ipa-3Grade, purity and minimum order on request
    Price on request
    View
  • Innovapharm Ltd
    Ukraine, KievUnclaimed profile
    Ipa-3Grade, purity and minimum order on request
    Price on request
    View
  • Life Chemicals
    Canada, Niagara-on-the-LakeUnclaimed profile
    Ipa-3Grade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 3 countries

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Ipa-3 price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • enzyme inhibitor
  • protein kinase inhibitor

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 Ipa-3 is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ipa-3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ipa-3, based on the data on this page

What is Ipa-3?

IPA-3 is an organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of naphthols and an organic disulfide.

What is the CAS number of Ipa-3?

The CAS registry number of Ipa-3 is 42521-82-4. Other or deprecated CAS numbers: 1081767-20-5.

What is the molecular formula and weight of Ipa-3?

The molecular formula of Ipa-3 is C20H14O2S2 and its molar mass is 350.46 g/mol.

What is Ipa-3 used for?

Known uses and roles of Ipa-3 include building blocks in research and laboratory, screening compounds in research and laboratory, enzyme inhibitor and protein kinase inhibitor.

Is Ipa-3 hazardous?

Ipa-3 carries the GHS signal word "Danger". Main hazards: causes serious eye damage, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ipa-3?

Ipa-3 is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ipa-3?

CompoundList lists 5 suppliers of Ipa-3 in China, Canada and Ukraine. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ipa-3?

Suppliers quote Ipa-3 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

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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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