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structure of 936563-96-1

Ibrutinib(CAS 936563-96-1)

CAS No.: 936563-96-1 Brand: MolBest
M. Ft.: C25H24N6O2 Cat. No: G5507956
M. Wt.: 440.5 MDL: MFCD20261150
Storage: 2-8°C Use: For laboratory research use only
UN No.: UN 3077 9 /PG III
Purity Grade Package Stock Price Quantity
98%
Documents:COANMRLCMSSDS
RG 250MG In Stock 4 USD
98%
Documents:COANMRLCMSSDS
RG 1G In Stock 11 USD
98%
Documents:COANMRLCMSSDS
RG 5G In Stock 40 USD
98%
Documents:COANMRLCMSSDS
RG 25G In Stock 90 USD
98%
Documents:COANMRLCMSSDS
RG 100G In Stock 540 USD
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Applications of 936563-96-1

Industry Application Process
Pharmaceutical Industry Bruton’s Tyrosine Kinase (BTK) Inhibitor Used as an active pharmaceutical ingredient (API) to covalently bind Cys-481 on the BTK protein, thereby inhibiting the B-cell receptor signaling pathway in anticancer drug development.
Pharmaceutical Industry Manufacture of Ibrutinib Oral Dosage Forms The API is milled and sieved, then blended with excipients (e.g., microcrystalline cellulose, sodium croscarmellose), followed by dry granulation or direct compression and coating to produce tablets or capsules.
Scientific Research Mechanistic Studies of Drug Action Ibrutinib serves as a selective BTK probe in cell biology experiments to investigate signal transduction pathways in B-cell malignancies and autoimmune diseases.
Scientific Research Development of Drug Synthesis Processes Chiral pyrazole derivatives and other starting materials undergo coupling, hydrolysis, and salt formation steps to optimize yield and purity for high-purity reference standard preparation.

Physical and chemical properties of 936563-96-1

Acidity coefficient

4.09±0.30(Predicted)

Boiling Point

715.0±60.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

440.196075

Flash Point

386.2±32.9 °C

H Bond Acceptors

5

H Bond Donors

1

Index of Refraction

1.696

LogP

log Kow = 3.97 (est)

Melting Point

149-158ºC

Molecular Formula

C25H24N6O2

Molecular Weight

440.497

PSA

99.16000

Solubility

Freely soluble in dimethyl sulfoxide; soluble in methanol

Stability

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.

Storage condition

-20°C

Vapour Pressure

3.97X10-15 mm Hg at 25 °C (est)

Spectrums of 936563-96-1

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 936563-96-1

Retrosynthesis analysis of 936563-96-1

Q&A for CAS 936563-96-1

1. How can I verify product quality?
Every batch of our Chemical Reagents is tested to meet ISO 9001 standards. We provide COA & NMR & SDS Provided with each shipment. Batch COA available for verification, and third-party retesting is supported. A full refund is offered if our data is incorrect.

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If your Lab Grade Chemical Reagents do not match the Batch COA available, we will issue a replacement or a full refund upon verification.

4. Are hazardous labels included? How is safe shipping ensured?
Hazardous products are labeled and packaged following international regulations. We provide SDS Provided with all hazardous shipments to ensure safe and compliant transport.

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Yes, samples are available for selected Lab Grade products. Please submit a request to confirm availability and specifications.

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9. Can you customize purity or packaging?
Yes. We support customization of Lab Grade purity, packaging size, and special testing requirements. Share your needs and we’ll provide a tailored solution.

10. Is the COA consistent with the shipped batch?
Yes. Batch COA available matches the actual shipment. COAs shown online are for reference or from previous batches.

11. Do you support long-term supply agreements?
Yes. We offer Lab Supplier services for stable batch consistency, pricing agreements, and safety stock for long-term customers to ensure uninterrupted supply.

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Download SDS of 936563-96-1

Pictograms

Signal Word

Danger

Hazard Statements

H302 Harmful if swallowed
H315 Causes skin irritation
H319 Causes serious eye irritation
H335 May cause respiratory irritation
H351 Suspected of causing cancer
H360 May damage fertility or the unborn child
H373 May causes damage to organs through prolonged or repeated exposure
H410 Very toxic to aquatic life with long lasting effects

Safety Data Sheet

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Operate under the ISO 9001 system