CAS RN: 943319-70-8

Ponatinib

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250201 1g In stock Shanghai Inquiry
Batchno.20250211 1mg In stock Shanghai Inquiry
Batchno.20260527 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260326 5g In stock Shanghai, Tianjin Inquiry
Batchno.20260210 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS943319-70-8
  • Purity/Analytical Methods: >99.0%
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943319-70-8 / 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

Standard CAS: 943319-70-8 Multi CAS: Yes

Basic Information

CAS
943319-70-8
Multi CAS
Yes
Molecular Formula
C29F3H27N6O
Molecular Weight
532.600000
Exact Mass
532.219844
InChI
InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChIKey
PHXJVRSECIGDHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
142.32
TPSA
65.77

LogP / Solubility

WLOGP
4.46
MLOGP
3.96
XLogP3
4.1
Consensus LogP
4.17
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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