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Isotope-labelled compounds

Hydroxy bosentan-d4

Also known as 4-(1-hydroxy-2-methylpropan-2-yl)-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide, N-[6-{[2-Hydroxy(~2~H_4_)ethyl]oxy}-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzene-1-sulfonamide

CAS 1065472-91-4Formula C27H29N5O7SMolar mass 571.65 g/mol
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Hydroxy bosentan-d4 chemical structure, C27H29N5O7S, CAS 1065472-91-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1065472-91-4
Formula
C27H29N5O7S
Molar mass
571.65 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Hydroxy bosentan-d4?

Plain description, key identifiers and synonyms

Hydroxy bosentan-d4 is a chemical substance with the molecular formula C27H29N5O7S and a molar mass of 571.65 g/mol. Its CAS registry number is 1065472-91-4. The IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(1-hydroxy-2-methylpropan-2-yl)-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
CAS number
1065472-91-4 CAS number cross-checked
Molecular formula
C27H29N5O7S
InChIKey
FAJQMBCLPZWTQJ-ONNKGWAKSA-N
InChI
InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)/i15D2,16D2
Canonical SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)CO)cc2)nc(-c2ncccn2)nc1OCCO
Isomeric SMILES
[2H]C([2H])(C([2H])([2H])OC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)CO)C4=NC=CC=N4)O

Synonyms

  • 4-(1-hydroxy-2-methylpropan-2-yl)-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
  • N-[6-{[2-Hydroxy(~2~H_4_)ethyl]oxy}-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzene-1-sulfonamide

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
571.65 g/molcalc.
Exact mass
571.2039 Dacalc.
LogP (octanol/water)
3.18calc.
Topological polar surface area
165.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
12calc.
Heavy atoms
40calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.26calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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=S(=O)(Nc1nc(-c2ncccn2)ncc1Oc1ccccc1)c1ccccc1

O=S(=O)(Nc1nc(-c2ncccn2)ncc1Oc1ccccc1)c1ccccc1

4 rings, 29 atoms.

20 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.

Hydroxy bosentan-d4 suppliers

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Hydroxy bosentan-d4 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 Hydroxy bosentan-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Hydroxy bosentan-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hydroxy bosentan-d4, based on the data on this page

What is Hydroxy bosentan-d4?

Hydroxy bosentan-d4 is a chemical substance with the molecular formula C27H29N5O7S and a molar mass of 571.65 g/mol. Its CAS registry number is 1065472-91-4.

What is the CAS number of Hydroxy bosentan-d4?

The CAS registry number of Hydroxy bosentan-d4 is 1065472-91-4.

What is the molecular formula and weight of Hydroxy bosentan-d4?

The molecular formula of Hydroxy bosentan-d4 is C27H29N5O7S and its molar mass is 571.65 g/mol.

What is Hydroxy bosentan-d4 used for?

Known uses and roles of Hydroxy bosentan-d4 include isotope-labelled compounds in research and laboratory.

Is Hydroxy bosentan-d4 hazardous?

No GHS hazard classification for Hydroxy bosentan-d4 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 Hydroxy bosentan-d4?

Hydroxy bosentan-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hydroxy bosentan-d4?

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What is the price of Hydroxy bosentan-d4?

Suppliers quote Hydroxy bosentan-d4 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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