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Isotope-labelled compounds

Abemaciclib-D5

Also known as N-(5-((4-(ethyl-d5)piperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine

CAS 1809251-51-1Formula C27H32F2N8Molar mass 511.64 g/mol
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Abemaciclib-D5 chemical structure, C27H32F2N8, CAS 1809251-51-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1809251-51-1
Formula
C27H32F2N8
Molar mass
511.64 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Abemaciclib-D5?

Plain description, key identifiers and synonyms

Abemaciclib-D5 is a chemical substance with the molecular formula C27H32F2N8 and a molar mass of 511.64 g/mol. Its CAS registry number is 1809251-51-1. The IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CAS number
1809251-51-1
Molecular formula
C27H32F2N8
InChIKey
UZWDCWONPYILKI-RPIBLTHZSA-N
InChI
InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)/i1D3,5D2
Canonical SMILES
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

Synonyms

  • N-(5-((4-(ethyl-d5)piperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine

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
511.64 g/molcalc.
Exact mass
511.3032 Dacalc.
LogP (octanol/water)
4.94calc.
Topological polar surface area
75 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.41calc.
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, c1cc(-c2ccc3nc[nH]c3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1

c1cc(-c2ccc3nc[nH]c3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1

5 rings, 29 atoms.

10 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.

Abemaciclib-D5 suppliers

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All 2 suppliers

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Abemaciclib-D5 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 Abemaciclib-D5 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 Abemaciclib-D5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Abemaciclib-D5, based on the data on this page

What is Abemaciclib-D5?

Abemaciclib-D5 is a chemical substance with the molecular formula C27H32F2N8 and a molar mass of 511.64 g/mol. Its CAS registry number is 1809251-51-1.

What is the CAS number of Abemaciclib-D5?

The CAS registry number of Abemaciclib-D5 is 1809251-51-1.

What is the molecular formula and weight of Abemaciclib-D5?

The molecular formula of Abemaciclib-D5 is C27H32F2N8 and its molar mass is 511.64 g/mol.

What is Abemaciclib-D5 used for?

Known uses and roles of Abemaciclib-D5 include isotope-labelled compounds in research and laboratory.

Is Abemaciclib-D5 hazardous?

No GHS hazard classification for Abemaciclib-D5 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 Abemaciclib-D5?

Abemaciclib-D5 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 Abemaciclib-D5?

CompoundList lists 2 suppliers of Abemaciclib-D5 in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Abemaciclib-D5 in India?

1 supplier in India list Abemaciclib-D5 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Abemaciclib-D5?

Suppliers quote Abemaciclib-D5 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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