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Screening compounds

Doconazole

Also known as Doconazolum, Doconazol, 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole

CAS 59831-63-9Formula C26H22Cl2N2O3Molar mass 481.38 g/mol
1 supplier listed
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Doconazole chemical structure, C26H22Cl2N2O3, CAS 59831-63-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59831-63-9
Formula
C26H22Cl2N2O3
Molar mass
481.38 g/mol
HS code
293499
Category
Screening compounds

What is Doconazole?

Plain description, key identifiers and synonyms

Doconazole is a member of biphenyls.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CAS number
59831-63-9 CAS number cross-checked
Molecular formula
C26H22Cl2N2O3
UNII
VR021VC9TY
InChIKey
GNZHVEIGGFMLSP-OZXSUGGESA-N
InChI
InChI=1S/C26H22Cl2N2O3/c27-21-8-11-24(25(28)14-21)26(17-30-13-12-29-18-30)32-16-23(33-26)15-31-22-9-6-20(7-10-22)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23-,26-/m0/s1
Canonical SMILES
Clc1ccc(C2(Cn3ccnc3)OCC(COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1
Isomeric SMILES
C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=CC=C5

Synonyms

  • Doconazolum
  • Doconazol
  • 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
  • cis-1-((4-((4-Biphenyloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)imidazole
  • 1H-Imidazole, 1-((4-(((1,1'-biphenyl)-4-yloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-, cis-
  • cis-1-((4-(((1,1'-Biphenyl)-4-yloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazole
  • cis-1-[[4-[(4-Biphenyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
  • Doconazole (USAN/INN)
  • (+/-)-Doconazole
  • Doconazole, (+/-)-

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
481.38 g/molcalc.
Exact mass
480.1007 Dacalc.
LogP (octanol/water)
6.2calc.
Topological polar surface area
45.51 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc(-c2ccc(OCC3COC(Cn4ccnc4)(c4ccccc4)O3)cc2)cc1

c1ccc(-c2ccc(OCC3COC(Cn4ccnc4)(c4ccccc4)O3)cc2)cc1

5 rings, 31 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.

Doconazole suppliers

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Where suppliers are based

1 supplier in 1 country

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Doconazole price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Doconazole?

Doconazole is a member of biphenyls.

What is the CAS number of Doconazole?

The CAS registry number of Doconazole is 59831-63-9.

What is the molecular formula and weight of Doconazole?

The molecular formula of Doconazole is C26H22Cl2N2O3 and its molar mass is 481.38 g/mol.

What is Doconazole used for?

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

Is Doconazole hazardous?

No GHS hazard classification for Doconazole 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 Doconazole?

Doconazole 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 Doconazole?

CompoundList lists 1 supplier of Doconazole in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Doconazole in India?

1 supplier in India list Doconazole on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Doconazole?

Suppliers quote Doconazole 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 Doconazole

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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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