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Screening compounds

ST 876

Also known as 1,2,4-Triazin-3(2H)-one, 5,6-bis(4-methoxyphenyl)-2-(3-(2-propenylamino)propyl)-, ethanedioate (1:1), Oxalate de l'oxo-3 gamma-allylaminopropyl-2 di(paramethoxyphenyl)-5,6-as triazine, Oxalic acid--5,6-bis(4-methoxyphenyl)-2-{3-[(prop-2-en-1-yl)amino]propyl}-1,2,4-triazin-3(2H)-one (1/1)

CAS 84423-95-0Formula C25H28N4O7Molar mass 496.52 g/mol
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ST 876 chemical structure, C25H28N4O7, CAS 84423-95-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84423-95-0
Formula
C25H28N4O7
Molar mass
496.52 g/mol
HS code
293369
Category
Screening compounds

What is ST 876?

Plain description, key identifiers and synonyms

ST 876 is a chemical substance with the molecular formula C25H28N4O7 and a molar mass of 496.52 g/mol. Its CAS registry number is 84423-95-0. The IUPAC name is 5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one, oxalic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one, oxalic acid
CAS number
84423-95-0 CAS number cross-checked
Molecular formula
C25H28N4O7
InChIKey
WQQOBFZVFHJRHX-UHFFFAOYSA-N
InChI
InChI=1S/C23H26N4O3.C2H2O4/c1-4-14-24-15-5-16-27-23(28)25-21(17-6-10-19(29-2)11-7-17)22(26-27)18-8-12-20(30-3)13-9-18;3-1(4)2(5)6/h4,6-13,24H,1,5,14-16H2,2-3H3;(H,3,4)(H,5,6)
SMILES (canonical and isomeric)
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCNCC=C.C(=O)(C(=O)O)O

Synonyms

  • 1,2,4-Triazin-3(2H)-one, 5,6-bis(4-methoxyphenyl)-2-(3-(2-propenylamino)propyl)-, ethanedioate (1:1)
  • Oxalate de l'oxo-3 gamma-allylaminopropyl-2 di(paramethoxyphenyl)-5,6-as triazine
  • Oxalic acid--5,6-bis(4-methoxyphenyl)-2-{3-[(prop-2-en-1-yl)amino]propyl}-1,2,4-triazin-3(2H)-one (1/1)

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
496.52 g/molcalc.
Exact mass
496.1958 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
152.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
10calc.
Heavy atoms
36calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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(-c2ccccc2)c(-c2ccccc2)n[nH]1

O=c1nc(-c2ccccc2)c(-c2ccccc2)n[nH]1

3 rings, 19 atoms, the 5,6-Diphenyl-1,2,4-triazin-3(2H)-one ring system.

39 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.

ST 876 suppliers

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ST 876 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 ST 876 is traded under.

HS 2933.69Indicative HS code

Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…

World exports in 2024
$2.46B
+1.8% vs 2023, imports $2.44B
2019 to 2024
Top exporters
  1. China53.6%
  2. Germany11.5%
  3. India * partner reported8.4%
Top importers
  1. United States13.5%
  2. Brazil9.6%
  3. Germany9.5%

* Partner reported figures, a lower bound.

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

The HS code shown for ST 876 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about ST 876, based on the data on this page

What is ST 876?

ST 876 is a chemical substance with the molecular formula C25H28N4O7 and a molar mass of 496.52 g/mol. Its CAS registry number is 84423-95-0. The IUPAC name is 5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one, oxalic acid.

What is the CAS number of ST 876?

The CAS registry number of ST 876 is 84423-95-0.

What is the molecular formula and weight of ST 876?

The molecular formula of ST 876 is C25H28N4O7 and its molar mass is 496.52 g/mol.

What is ST 876 used for?

Known uses and roles of ST 876 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is ST 876 hazardous?

No GHS hazard classification for ST 876 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 ST 876?

ST 876 is usually classified under HS code 293369 (Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy ST 876?

Post a free request on CompoundList and suppliers of ST 876 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of ST 876?

Suppliers quote ST 876 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 ST 876

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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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