CompoundList
Sign in
Screening compounds

Nebentan

Also known as (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide, Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenyl-, (1E)-, (E)-N-(6-Methoxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)-2-phenylethenesulfonamide

CAS 403604-85-3Formula C24H21N5O5SMolar mass 491.53 g/mol
Get quotes Safety data
Nebentan chemical structure, C24H21N5O5S, CAS 403604-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
403604-85-3
Formula
C24H21N5O5S
Molar mass
491.53 g/mol
HS code
293590
Category
Screening compounds

What is Nebentan?

Plain description, key identifiers and synonyms

Nebentan is a chemical substance with the molecular formula C24H21N5O5S and a molar mass of 491.53 g/mol. Its CAS registry number is 403604-85-3. The IUPAC name is (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CAS number
403604-85-3 CAS number cross-checked
Molecular formula
C24H21N5O5S
UNII
IJ670B0H4A
InChIKey
LONWRQOYFPYMQD-DTQAZKPQSA-N
InChI
InChI=1S/C24H21N5O5S/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22/h3-16H,1-2H3,(H,27,28,29)/b16-13+
Canonical SMILES
COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(-c2ncccn2)nc1OC
Isomeric SMILES
COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)NS(=O)(=O)/C=C/C4=CC=CC=C4

Synonyms

  • (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
  • Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenyl-, (1E)-
  • (E)-N-(6-Methoxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)-2-phenylethenesulfonamide
  • Nebentan free base
  • (E)-N-(6-methoxy-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)-2-phenylethenesulfonamide
  • YM598, YM 598, YM598, Nebentan.
  • (e)-N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenylethenesulfonamide
  • (E)-N-[6-Methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenylethene-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
491.53 g/molcalc.
Exact mass
491.1263 Dacalc.
LogP (octanol/water)
4.16calc.
Topological polar surface area
125.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
4calc.
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)(C=Cc1ccccc1)Nc1nc(-c2ncccn2)ncc1Oc1ccccc1

O=S(=O)(C=Cc1ccccc1)Nc1nc(-c2ncccn2)ncc1Oc1ccccc1

4 rings, 31 atoms.

1 other chemical 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.

Nebentan suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Nebentan can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Nebentan 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.

Get latest price

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

Frequently asked questions

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

What is Nebentan?

Nebentan is a chemical substance with the molecular formula C24H21N5O5S and a molar mass of 491.53 g/mol. Its CAS registry number is 403604-85-3. The IUPAC name is (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide.

What is the CAS number of Nebentan?

The CAS registry number of Nebentan is 403604-85-3.

What is the molecular formula and weight of Nebentan?

The molecular formula of Nebentan is C24H21N5O5S and its molar mass is 491.53 g/mol.

What is Nebentan used for?

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

Is Nebentan hazardous?

No GHS hazard classification for Nebentan 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 Nebentan?

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

Where can I buy Nebentan?

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

What is the price of Nebentan?

Suppliers quote Nebentan 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 Nebentan

Get quotes for Nebentan

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Nebentan
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Nebentan with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/nebentan-403604-85-3" title="Nebentan structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293590

Price on request
Free quotes, contact stays private
Get quotes