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Screening compounds

Allantodapsone

Also known as 1-((4-((4-aminophenyl)sulfonyl)anilino)methyl)-2,4,5,6(1H,3H)-pyrimidinetetrone, 1-[[[4-((4-Aminophenyl)sulfonyl)phenyl]-amino]methyl]-2,5,6(1H,3H)-pyrimidine tetrone, 1-{[4-(4-Aminobenzene-1-sulfonyl)anilino]methyl}-1,3-diazinane-2,4,5,6-tetrone

CAS 6323-45-1Formula C17H14N4O6SMolar mass 402.39 g/mol
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Allantodapsone chemical structure, C17H14N4O6S, CAS 6323-45-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6323-45-1
Formula
C17H14N4O6S
Molar mass
402.39 g/mol
HS code
293359
Category
Screening compounds

What is Allantodapsone?

Plain description, key identifiers and synonyms

Allantodapsone is a chemical substance with the molecular formula C17H14N4O6S and a molar mass of 402.39 g/mol. Its CAS registry number is 6323-45-1. The IUPAC name is 1-[[4-(4-aminophenyl)sulfonylanilino]methyl]-1,3-diazinane-2,4,5,6-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[4-(4-aminophenyl)sulfonylanilino]methyl]-1,3-diazinane-2,4,5,6-tetrone
CAS number
6323-45-1 CAS number cross-checked
Molecular formula
C17H14N4O6S
InChIKey
JPOVFEACCADFBU-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)
SMILES (canonical and isomeric)
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C(=O)C(=O)NC3=O

Synonyms

  • 1-((4-((4-aminophenyl)sulfonyl)anilino)methyl)-2,4,5,6(1H,3H)-pyrimidinetetrone
  • 1-[[[4-((4-Aminophenyl)sulfonyl)phenyl]-amino]methyl]-2,5,6(1H,3H)-pyrimidine tetrone
  • 1-{[4-(4-Aminobenzene-1-sulfonyl)anilino]methyl}-1,3-diazinane-2,4,5,6-tetrone

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
402.39 g/molcalc.
Exact mass
402.0634 Dacalc.
LogP (octanol/water)
0.12calc.
Topological polar surface area
155.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.06calc.
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=C1NC(=O)N(CNc2ccc(S(=O)(=O)c3ccccc3)cc2)C(=O)C1=O

O=C1NC(=O)N(CNc2ccc(S(=O)(=O)c3ccccc3)cc2)C(=O)C1=O

3 rings, 27 atoms.

No other chemical in our database has 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.

Allantodapsone suppliers

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Allantodapsone 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

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 Allantodapsone is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Allantodapsone?

Allantodapsone is a chemical substance with the molecular formula C17H14N4O6S and a molar mass of 402.39 g/mol. Its CAS registry number is 6323-45-1. The IUPAC name is 1-[[4-(4-aminophenyl)sulfonylanilino]methyl]-1,3-diazinane-2,4,5,6-tetrone.

What is the CAS number of Allantodapsone?

The CAS registry number of Allantodapsone is 6323-45-1.

What is the molecular formula and weight of Allantodapsone?

The molecular formula of Allantodapsone is C17H14N4O6S and its molar mass is 402.39 g/mol.

What is Allantodapsone used for?

Known uses and roles of Allantodapsone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Allantodapsone hazardous?

No GHS hazard classification for Allantodapsone 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 Allantodapsone?

Allantodapsone is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Allantodapsone?

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

What is the price of Allantodapsone?

Suppliers quote Allantodapsone 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 Allantodapsone

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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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