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Impurities and reference standards

Deoxybicalutamide

Also known as Bicalutamide impurity c, (2rs)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methyl-

CAS 906008-94-4Formula C18H14F4N2O3SMolar mass 414.38 g/molEC 680-656-8
GHS signal word: Danger. Pictograms: Serious health hazard, Hazardous to the environment 2 suppliers listed
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Deoxybicalutamide chemical structure, C18H14F4N2O3S, CAS 906008-94-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
906008-94-4
Formula
C18H14F4N2O3S
Molar mass
414.38 g/mol
EC number
680-656-8
HS code
293090
Category
Impurities and reference standards

What is Deoxybicalutamide?

Plain description, key identifiers and synonyms

Deoxybicalutamide is a chemical substance with the molecular formula C18H14F4N2O3S and a molar mass of 414.38 g/mol. Its CAS registry number is 906008-94-4. The IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CAS number
906008-94-4
EC number
680-656-8
Molecular formula
C18H14F4N2O3S
UNII
ATU20DB5JB
MDL number
MFCD18382259
InChIKey
CLQOAZDMLVMGKV-UHFFFAOYSA-N
InChI
InChI=1S/C18H14F4N2O3S/c1-11(10-28(26,27)15-6-3-13(19)4-7-15)17(25)24-14-5-2-12(9-23)16(8-14)18(20,21)22/h2-8,11H,10H2,1H3,(H,24,25)
SMILES (canonical and isomeric)
CC(CS(=O)(=O)C1=CC=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

Synonyms

  • Bicalutamide impurity c
  • (2rs)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methylpropanamide
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methyl-
  • Bicalutamide impurity c (ep impurity)
  • (+-)-Deoxybicalutamide
  • Deshydroxy Bicalutamide
  • Bicalutamide EP Impurity C
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methylpropanamide
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
  • 0Bicalutamide Impurity C
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-methylpropanamide
  • (2RS)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-methylpropanamide (Dehydroxybicalutamide)
  • (+/-)-Deoxybicalutamide
  • Deshydroxy Bicalutamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-methylpropanamide

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
414.38 g/molcalc.
Exact mass
414.0661 Dacalc.
LogP (octanol/water)
3.76calc.
Topological polar surface area
87.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.22calc.
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(CCS(=O)(=O)c1ccccc1)Nc1ccccc1

O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1

2 rings, 20 atoms.

113 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H351Suspected of causing cancer.
  • H360FDMay damage fertility. May damage the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P391Collect spillage.
  • P405Store locked up.
  • 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

Deoxybicalutamide suppliers

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All 2 suppliers

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

2 suppliers in 2 countries

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Deoxybicalutamide 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Deoxybicalutamide?

Deoxybicalutamide is a chemical substance with the molecular formula C18H14F4N2O3S and a molar mass of 414.38 g/mol. Its CAS registry number is 906008-94-4. The IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide.

What is the CAS number of Deoxybicalutamide?

The CAS registry number of Deoxybicalutamide is 906008-94-4.

What is the molecular formula and weight of Deoxybicalutamide?

The molecular formula of Deoxybicalutamide is C18H14F4N2O3S and its molar mass is 414.38 g/mol.

Is Deoxybicalutamide hazardous?

Deoxybicalutamide carries the GHS signal word "Danger". Main hazards: suspected of causing cancer, may damage fertility. may damage the unborn child, causes damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Deoxybicalutamide?

Deoxybicalutamide 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 Deoxybicalutamide?

CompoundList lists 2 suppliers of Deoxybicalutamide in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Deoxybicalutamide?

Suppliers quote Deoxybicalutamide 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 Deoxybicalutamide

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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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