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Screening compounds

Batabulin

Also known as 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide, Batabulina, Batabuline

CAS 195533-53-0Formula C13H7F6NO3SMolar mass 371.26 g/mol
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Batabulin chemical structure, C13H7F6NO3S, CAS 195533-53-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
195533-53-0
Formula
C13H7F6NO3S
Molar mass
371.26 g/mol
HS code
293590
Category
Screening compounds

What is Batabulin?

Plain description, key identifiers and synonyms

Batabulin is a synthetic pentafluorophenylsulfonamide with potential antineoplastic activity. Batabulin covalently binds to beta tubulin, resulting in a disruption of microtubule polymerization, collapse of the cytoskeleton, cell cycle arrest, and tumor cell apoptosis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CAS number
195533-53-0 CAS number cross-checked
Molecular formula
C13H7F6NO3S
UNII
T4NP8G3K6Q
MDL number
MFCD22380604
InChIKey
ROZCIVXTLACYNY-UHFFFAOYSA-N
InChI
InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
SMILES (canonical and isomeric)
COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F

Synonyms

  • 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
  • Batabulina
  • Batabuline
  • TL 057
  • Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-
  • 2-fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene
  • batabulinum
  • N-(3-Fluoro-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
  • 195533-53-0 (free)
  • Batabulin (USAN/INN)
  • 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxy-phenyl)benzenesulfonamide
  • 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzene-1-sulfonamide

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
371.26 g/molcalc.
Exact mass
371.0051 Dacalc.
LogP (octanol/water)
3.33calc.
Topological polar surface area
55.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
0calc.
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=S(=O)(Nc1ccccc1)c1ccccc1

O=S(=O)(Nc1ccccc1)c1ccccc1

2 rings, 16 atoms, the Benzenesulfonanilide ring system.

5,797 other chemicals share 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.

Batabulin suppliers

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Batabulin 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

Roles

  • antineoplastic agent
  • pharmaceutical

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 Batabulin is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Batabulin?

Batabulin is a synthetic pentafluorophenylsulfonamide with potential antineoplastic activity. Batabulin covalently binds to beta tubulin, resulting in a disruption of microtubule polymerization, collapse of the cytoskeleton, cell cycle arrest, and tumor cell apoptosis.

What is the CAS number of Batabulin?

The CAS registry number of Batabulin is 195533-53-0.

What is the molecular formula and weight of Batabulin?

The molecular formula of Batabulin is C13H7F6NO3S and its molar mass is 371.26 g/mol.

What is Batabulin used for?

Known uses and roles of Batabulin include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Batabulin hazardous?

No GHS hazard classification for Batabulin 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 Batabulin?

Batabulin is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Batabulin?

Post a free request on CompoundList and suppliers of Batabulin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Batabulin?

Suppliers quote Batabulin 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 Batabulin

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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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