CompoundList
Bicalutamide chemical structure, C18H14F4N2O4S, CAS 90357-06-5
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals from 1:1 (v/v) mix of ethyl acetate and petroleum ether
Melting point
191 to 193
Solubility
Practically insoluble in water at 37 °C (5 mg/1000 mL)
HS code
293090
Category
Hormones and steroids
Illustrative photo, closed blue fibre drums on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Bicalutamide?

Plain description, key identifiers and synonyms

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide is a member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. It is a nitrile, a tertiary alcohol, a monocarboxylic acid amide, a sulfone, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CAS number
90357-06-5 CAS number cross-checked
EC number
618-534-3
Molecular formula
C18H14F4N2O4S
UNII
A0Z3NAU9DP
MDL number
MFCD00869971
InChIKey
LKJPYSCBVHEWIU-UHFFFAOYSA-N
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,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)O

Synonyms

  • Casodex
  • Cosudex
  • Calutide
  • Kalumid
  • ICI 176334
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
  • bicalutamida
  • ICI 176,334
  • ICI176,334-1
  • Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorobenzenesulfonyl)-2-hydroxy-2-methylpropanamide
  • bicalutamidum
  • N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorobenzenesulfonyl)-2-hydroxy-2-methylpropanamide
  • N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
  • 4'-cyano-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methyl-3'-(trifluoromethyl)propionanilide
  • 4-cyano-3-trifluoromethyl-N-(3-p-fluorophenylsulfonyl-2-hydroxy-2-methylpropionyl)aniline
  • 4'-Cyano-alpha,alpha,alpha-trifuloro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide
  • (+-)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)3-3((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-propanamide
  • N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide
  • Bicalutamide (CDX)
  • Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
  • Bicalutamide (usp-rs)
  • Bicalutamide Crystalline Form II
Show all 35 synonyms
  • Raffolutil
  • Casodex (TN)
  • Bicalox
  • Bical
  • Propanamide,
  • Calutide,
  • Casodex,
  • Cosudex,
  • Bicalutamide CRS
  • (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide

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

Appearance
Crystals from 1:1 (v/v) mix of ethyl acetate and petroleum etherexp.
Melting point
191 to 193exp.
Solubility
Practically insoluble in water at 37 °C (5 mg/1000 mL)exp.

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
430.38 g/molcalc.
Exact mass
430.061 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
107.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
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
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H351Suspected of causing cancer.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Bicalutamide suppliers

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All 177 suppliers
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Where suppliers are based

177 suppliers in 23 countries

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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

In treatment of prostrate cancer.

Nonsteroidal anti-androgen with affinity for androgen receptors ... blocks the action of androgens of adrenal and testicular origin with stimulate the growth of normal and malignant prostatic issue.

Therapeutic category: Antiandrogen, antineoplastic (hormonal).

Pharmacological actions

  • Androgen Antagonists
  • Antineoplastic Agents

Roles

  • androgen antagonist
  • antagonist
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • environmental contaminant
  • hormone antagonist
  • hormone receptor modulator
  • pharmaceutical
  • receptor modulator
  • xenobiotic

Pharmacology

Bicalutamide is an Androgen Receptor Inhibitor. The mechanism of action of bicalutamide is as an Androgen Receptor Antagonist.

How it is made

Preparation: Tucker H, EP 100172, idem, US 4636505 (1984, 1987 both to ICI)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 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 Bicalutamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bicalutamide?

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide is a member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.

What is the CAS number of Bicalutamide?

The CAS registry number of Bicalutamide is 90357-06-5.

What is the molecular formula and weight of Bicalutamide?

The molecular formula of Bicalutamide is C18H14F4N2O4S and its molar mass is 430.38 g/mol.

What is Bicalutamide used for?

In treatment of prostrate cancer. Nonsteroidal anti-androgen with affinity for androgen receptors ... blocks the action of androgens of adrenal and testicular origin with stimulate the growth of normal and malignant prostatic issue. Therapeutic category: Antiandrogen, antineoplastic (hormonal).

Is Bicalutamide hazardous?

Bicalutamide carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bicalutamide?

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 Bicalutamide?

CompoundList lists 177 suppliers of Bicalutamide in China, United States, India, Germany and 19 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Bicalutamide in India?

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

What is the price of Bicalutamide?

Suppliers quote 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 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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