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Screening compounds

Ppaps

Also known as Pyridoxal phosphate-6-azophenyl-2'-sulfonic acid, Benzenesulfonic acid, 2-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-

CAS 121864-87-7Formula C14H14N3O9PSMolar mass 431.32 g/mol
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Ppaps chemical structure, C14H14N3O9PS, CAS 121864-87-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121864-87-7
Formula
C14H14N3O9PS
Molar mass
431.32 g/mol
HS code
293339
Category
Screening compounds

What is Ppaps?

Plain description, key identifiers and synonyms

Ppaps is a chemical substance with the molecular formula C14H14N3O9PS and a molar mass of 431.32 g/mol. Its CAS registry number is 121864-87-7. The IUPAC name is 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzenesulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzenesulfonic acid
CAS number
121864-87-7
Molecular formula
C14H14N3O9PS
InChIKey
YQTIJYMEQKTAAZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N3O9PS/c1-8-13(19)9(6-18)10(7-26-27(20,21)22)14(15-8)17-16-11-4-2-3-5-12(11)28(23,24)25/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)
SMILES (canonical and isomeric)
CC1=C(C(=C(C(=N1)N=NC2=CC=CC=C2S(=O)(=O)O)COP(=O)(O)O)C=O)O

Synonyms

  • Pyridoxal phosphate-6-azophenyl-2'-sulfonic acid
  • Benzenesulfonic acid, 2-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-

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
431.32 g/molcalc.
Exact mass
431.0188 Dacalc.
LogP (octanol/water)
2.18calc.
Topological polar surface area
196 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.14calc.
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, c1ccc(N=Nc2ccccn2)cc1

c1ccc(N=Nc2ccccn2)cc1

2 rings, 14 atoms, the 2-(Phenylazo)pyridine ring system.

120 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.

Ppaps suppliers

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

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Ppaps 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

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 Ppaps is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ppaps?

Ppaps is a chemical substance with the molecular formula C14H14N3O9PS and a molar mass of 431.32 g/mol. Its CAS registry number is 121864-87-7. The IUPAC name is 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzenesulfonic acid.

What is the CAS number of Ppaps?

The CAS registry number of Ppaps is 121864-87-7.

What is the molecular formula and weight of Ppaps?

The molecular formula of Ppaps is C14H14N3O9PS and its molar mass is 431.32 g/mol.

What is Ppaps used for?

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

Is Ppaps hazardous?

No GHS hazard classification for Ppaps 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 Ppaps?

Ppaps is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ppaps?

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

What is the price of Ppaps?

Suppliers quote Ppaps 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 Ppaps

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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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