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Screening compounds

Macitentan IMpurity

Also known as N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]methanesulfonamide, N-(5-(4-bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)methanesulfonamide

CAS 556796-88-4Formula C17H15Br2N5O4SMolar mass 545.21 g/mol
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Macitentan IMpurity chemical structure, C17H15Br2N5O4S, CAS 556796-88-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
556796-88-4
Formula
C17H15Br2N5O4S
Molar mass
545.21 g/mol
HS code
293590
Category
Screening compounds

What is Macitentan IMpurity?

Plain description, key identifiers and synonyms

Macitentan IMpurity is a chemical substance with the molecular formula C17H15Br2N5O4S and a molar mass of 545.21 g/mol. Its CAS registry number is 556796-88-4. The IUPAC name is N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]methanesulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]methanesulfonamide
CAS number
556796-88-4
Molecular formula
C17H15Br2N5O4S
InChIKey
YBZPGENLNBOPON-UHFFFAOYSA-N
InChI
InChI=1S/C17H15Br2N5O4S/c1-29(25,26)24-15-14(11-2-4-12(18)5-3-11)16(23-10-22-15)27-6-7-28-17-20-8-13(19)9-21-17/h2-5,8-10H,6-7H2,1H3,(H,22,23,24)
SMILES (canonical and isomeric)
CS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br

Synonyms

  • N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]methanesulfonamide
  • N-(5-(4-bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)methanesulfonamide

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
545.21 g/molcalc.
Exact mass
542.9211 Dacalc.
LogP (octanol/water)
3.29calc.
Topological polar surface area
116.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.18calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc(-c2cncnc2OCCOc2ncccn2)cc1

c1ccc(-c2cncnc2OCCOc2ncccn2)cc1

3 rings, 22 atoms.

18 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.

Macitentan IMpurity suppliers

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Macitentan IMpurity price

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

Frequently asked questions

Quick answers about Macitentan IMpurity, based on the data on this page

What is Macitentan IMpurity?

Macitentan IMpurity is a chemical substance with the molecular formula C17H15Br2N5O4S and a molar mass of 545.21 g/mol. Its CAS registry number is 556796-88-4. The IUPAC name is N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]methanesulfonamide.

What is the CAS number of Macitentan IMpurity?

The CAS registry number of Macitentan IMpurity is 556796-88-4.

What is the molecular formula and weight of Macitentan IMpurity?

The molecular formula of Macitentan IMpurity is C17H15Br2N5O4S and its molar mass is 545.21 g/mol.

What is Macitentan IMpurity used for?

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

Is Macitentan IMpurity hazardous?

No GHS hazard classification for Macitentan IMpurity 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 Macitentan IMpurity?

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

Where can I buy Macitentan IMpurity?

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

What is the price of Macitentan IMpurity?

Suppliers quote Macitentan IMpurity 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

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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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