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Screening compounds

Hydroxy abrocitinib

Also known as Abrocitinib metabolite M1, 1-Propanesulfonamide, 3-hydroxy-N-(cis-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)cyclobutyl)-, 1-Propanesulfonamide, 3-hydroxy-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-

CAS 2744171-54-6Formula C14H21N5O3SMolar mass 339.42 g/mol
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Hydroxy abrocitinib chemical structure, C14H21N5O3S, CAS 2744171-54-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2744171-54-6
Formula
C14H21N5O3S
Molar mass
339.42 g/mol
HS code
293590
Category
Screening compounds

What is Hydroxy abrocitinib?

Plain description, key identifiers and synonyms

Hydroxy abrocitinib is a chemical substance with the molecular formula C14H21N5O3S and a molar mass of 339.42 g/mol. Its CAS registry number is 2744171-54-6. The IUPAC name is 3-hydroxy-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-hydroxy-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
CAS number
2744171-54-6
Molecular formula
C14H21N5O3S
UNII
YA4DQK8CAT
InChIKey
BUCWCFYDDFQXLE-UHFFFAOYSA-N
InChI
InChI=1S/C14H21N5O3S/c1-19(14-12-3-4-15-13(12)16-9-17-14)11-7-10(8-11)18-23(21,22)6-2-5-20/h3-4,9-11,18,20H,2,5-8H2,1H3,(H,15,16,17)
SMILES (canonical and isomeric)
CN(C1CC(C1)NS(=O)(=O)CCCO)C2=NC=NC3=C2C=CN3

Synonyms

  • Abrocitinib metabolite M1
  • 1-Propanesulfonamide, 3-hydroxy-N-(cis-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)cyclobutyl)-
  • 1-Propanesulfonamide, 3-hydroxy-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-
  • 3-hydroxy-N-((1s,3s)-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclobutyl)propane-1-sulfonamide
  • rel-3-Hydroxy-N-((1s,3s)-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclobutyl)propane-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
339.42 g/molcalc.
Exact mass
339.1365 Dacalc.
LogP (octanol/water)
0.23calc.
Topological polar surface area
111.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
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, c1nc(NC2CCC2)c2cc[nH]c2n1

c1nc(NC2CCC2)c2cc[nH]c2n1

3 rings, 14 atoms.

22 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 abrocitinib suppliers

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

Frequently asked questions

Quick answers about Hydroxy abrocitinib, based on the data on this page

What is Hydroxy abrocitinib?

Hydroxy abrocitinib is a chemical substance with the molecular formula C14H21N5O3S and a molar mass of 339.42 g/mol. Its CAS registry number is 2744171-54-6. The IUPAC name is 3-hydroxy-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide.

What is the CAS number of Hydroxy abrocitinib?

The CAS registry number of Hydroxy abrocitinib is 2744171-54-6.

What is the molecular formula and weight of Hydroxy abrocitinib?

The molecular formula of Hydroxy abrocitinib is C14H21N5O3S and its molar mass is 339.42 g/mol.

What is Hydroxy abrocitinib used for?

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

Is Hydroxy abrocitinib hazardous?

No GHS hazard classification for Hydroxy abrocitinib 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 abrocitinib?

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

Where can I buy Hydroxy abrocitinib?

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

What is the price of Hydroxy abrocitinib?

Suppliers quote Hydroxy abrocitinib 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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