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Screening compounds

ST 899

Also known as [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium, bromide, 1-Butanaminium, 4-(2-(6-chloro-3-oxo-1(3H)-isobenzofuranylidene)ethoxy)-N,N,N-trimethyl-2-(3-methyl-1-oxobutoxy)-4-oxo-, bromide, (R-(Z))-

CAS 143484-41-7Formula C22H29BrClNO6Molar mass 518.83 g/mol
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ST 899 chemical structure, C22H29BrClNO6, CAS 143484-41-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
143484-41-7
Formula
C22H29BrClNO6
Molar mass
518.83 g/mol
HS code
293220
Category
Screening compounds

What is ST 899?

Plain description, key identifiers and synonyms

ST 899 is a chemical substance with the molecular formula C22H29BrClNO6 and a molar mass of 518.83 g/mol. Its CAS registry number is 143484-41-7. The IUPAC name is [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium bromide
CAS number
143484-41-7
Molecular formula
C22H29BrClNO6
InChIKey
PHQDKXWPTYPXJJ-XDCMQMGXSA-M
InChI
InChI=1S/C22H29ClNO6.BrH/c1-14(2)10-21(26)29-16(13-24(3,4)5)12-20(25)28-9-8-19-18-11-15(23)6-7-17(18)22(27)30-19;/h6-8,11,14,16H,9-10,12-13H2,1-5H3;1H/q+1;/p-1/b19-8-;/t16-;/m1./s1
Canonical SMILES
CC(C)CC(=O)OC(CC(=O)OCC=C1OC(=O)c2ccc(Cl)cc21)C[N+](C)(C)C.[Br-]
Isomeric SMILES
CC(C)CC(=O)O[C@H](CC(=O)OC/C=C\1/C2=C(C=CC(=C2)Cl)C(=O)O1)C[N+](C)(C)C.[Br-]

Synonyms

  • [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium, bromide
  • 1-Butanaminium, 4-(2-(6-chloro-3-oxo-1(3H)-isobenzofuranylidene)ethoxy)-N,N,N-trimethyl-2-(3-methyl-1-oxobutoxy)-4-oxo-, bromide, (R-(Z))-

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
518.83 g/molcalc.
Exact mass
517.0867 Dacalc.
LogP (octanol/water)
0.45calc.
Topological polar surface area
78.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)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, C=C1OC(=O)c2ccccc21

C=C1OC(=O)c2ccccc21

2 rings, 11 atoms, the 3-Methyleneisobenzofuran-1(3H)-one ring system.

64 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 899 suppliers

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ST 899 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 899 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

The HS code shown for ST 899 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about ST 899, based on the data on this page

What is ST 899?

ST 899 is a chemical substance with the molecular formula C22H29BrClNO6 and a molar mass of 518.83 g/mol. Its CAS registry number is 143484-41-7. The IUPAC name is [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium bromide.

What is the CAS number of ST 899?

The CAS registry number of ST 899 is 143484-41-7.

What is the molecular formula and weight of ST 899?

The molecular formula of ST 899 is C22H29BrClNO6 and its molar mass is 518.83 g/mol.

What is ST 899 used for?

Known uses and roles of ST 899 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is ST 899 hazardous?

No GHS hazard classification for ST 899 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 899?

ST 899 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy ST 899?

Post a free request on CompoundList and suppliers of ST 899 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of ST 899?

Suppliers quote ST 899 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 899

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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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