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Impurities and reference standards

Desfluoro bicalutamide

Also known as N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide, Bicalutamide impurity A, (2RS)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide

CAS 90357-05-4Formula C18H15F3N2O4SMolar mass 412.39 g/molEC 672-576-7
GHS signal word: Danger. Pictograms: Serious health hazard, Hazardous to the environment 1 supplier listed
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Desfluoro bicalutamide chemical structure, C18H15F3N2O4S, CAS 90357-05-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90357-05-4
Formula
C18H15F3N2O4S
Molar mass
412.39 g/mol
EC number
672-576-7
HS code
293090
Category
Impurities and reference standards

What is Desfluoro bicalutamide?

Plain description, key identifiers and synonyms

Desfluoro bicalutamide is a chemical substance with the molecular formula C18H15F3N2O4S and a molar mass of 412.39 g/mol. Its CAS registry number is 90357-05-4. The IUPAC name is 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CAS number
90357-05-4
EC number
672-576-7
Molecular formula
C18H15F3N2O4S
UNII
15LQ88H10F
MDL number
MFCD24386587
InChIKey
GDXNOJUTJPBYEC-UHFFFAOYSA-N
InChI
InChI=1S/C18H15F3N2O4S/c1-17(25,11-28(26,27)14-5-3-2-4-6-14)16(24)23-13-8-7-12(10-22)15(9-13)18(19,20)21/h2-9,25H,11H2,1H3,(H,23,24)
SMILES (canonical and isomeric)
CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Synonyms

  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide
  • Bicalutamide impurity A
  • (2RS)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)-
  • Bicalutamide impurity a (ep impurity)
  • (2RS)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide
  • (+-)-Desfluoro bicalutamide
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)-, (+-)-
  • Bicalutamide EP Impurity A
  • (+/-)-Desfluoro bicalutamide
  • 3-(Benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)-, (+/-)-
  • Desfluoro Bicalutamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide

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
412.39 g/molcalc.
Exact mass
412.0705 Dacalc.
LogP (octanol/water)
2.74calc.
Topological polar surface area
107.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
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

  • H341Suspected of causing genetic defects.
  • H351Suspected of causing cancer.
  • H360FDMay damage fertility. May damage the unborn child.
  • H361Suspected of damaging fertility or 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

Desfluoro bicalutamide suppliers

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Where suppliers are based

1 supplier in 1 country

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Desfluoro bicalutamide 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

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

Frequently asked questions

Quick answers about Desfluoro bicalutamide, based on the data on this page

What is Desfluoro bicalutamide?

Desfluoro bicalutamide is a chemical substance with the molecular formula C18H15F3N2O4S and a molar mass of 412.39 g/mol. Its CAS registry number is 90357-05-4. The IUPAC name is 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.

What is the CAS number of Desfluoro bicalutamide?

The CAS registry number of Desfluoro bicalutamide is 90357-05-4.

What is the molecular formula and weight of Desfluoro bicalutamide?

The molecular formula of Desfluoro bicalutamide is C18H15F3N2O4S and its molar mass is 412.39 g/mol.

Is Desfluoro bicalutamide hazardous?

Desfluoro bicalutamide carries the GHS signal word "Danger". Main hazards: suspected of causing genetic defects, suspected of causing cancer, may damage fertility. may damage the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Desfluoro bicalutamide?

Desfluoro bicalutamide 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 Desfluoro bicalutamide?

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

What is the price of Desfluoro bicalutamide?

Suppliers quote Desfluoro bicalutamide 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 Desfluoro bicalutamide

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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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