CAS RN: 895519-90-1

Flumatinib

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6 package records6 with current stock1 grade group
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Batchno.20250226 100mg In stock Shanghai Inquiry
Batchno.20250708 10mg In stock Shanghai Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
Batchno.20251111 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS895519-90-1
  • Purity/Analytical Methods: >99.0%
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895519-90-1 / 4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide

Standard CAS: 895519-90-1 Multi CAS: No

Basic Information

CAS
895519-90-1
Multi CAS
No
Molecular Formula
C29F3H29N8O
Molecular Weight
562.600000
Exact Mass
562.241642
InChI
InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)
InChIKey
BJCJYEYYYGBROF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
149.69
TPSA
99.17

LogP / Solubility

WLOGP
5
MLOGP
4.45
XLogP3
3.4
Consensus LogP
4.28
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5

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