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CAS 936563-96-1 Ibrutinib molecular structure lightbox
CAS RN: 936563-96-1

Ibrutinib

Product Availability

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8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 10mg / 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 10mg In stock Inquiry
Batchno.20260125 1g In stock Inquiry
Batchno.20260305 250mg In stock Inquiry
Batchno.20260214 25g Out of stock Inquiry
Batchno.20260218 50mg In stock Inquiry
Batchno.20250618 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 1ml In stock Inquiry
  • Product code: SSC-208008
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 0.25g, 1g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 936563-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 4 In Stock Hong Kong Inquiry
10g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
1g >98% 1 In Stock Beijing Inquiry
25g >98% 1 In Stock Hong Kong Inquiry

936563-96-1 / 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

Standard CAS: 936563-96-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936563-96-1
Multi CAS
Yes
Molecular Formula
C25H24N6O2
Molecular Weight
440.500000
Exact Mass
440.196074
InChI
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
InChIKey
XYFPWWZEPKGCCK-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.74
TPSA
99.16

LogP / Solubility

WLOGP
4.22
MLOGP
3.74
XLogP3
3.6
Consensus LogP
3.85
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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