CAS RN: 366017-09-6
Mubritinib
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260406 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTM3058
- Purity/Analytical Methods: >98.0%(HPLC)
366017-09-6 / 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Basic Information
CAS
366017-09-6
Multi CAS
Yes
Molecular Formula
C25F3H23N4O2
Molecular Weight
468.500000
Exact Mass
468.177310
InChI
InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2
InChIKey
ZTFBIUXIQYRUNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.24
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
120.61
TPSA
65.97
LogP / Solubility
WLOGP
6.06
MLOGP
5.36
XLogP3
5.4
Consensus LogP
5.61
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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