CAS RN: 641571-15-5
4-Methyl-N-(3-(5-Methyl-1H-iMidazol-1-yl)-5-(trifluoroMethyl)phenyl)-3-((4-(pyridin-3-yl)pyriMidin-2-yl)aMino)benzaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS641571-15-5
- Purity/Analytical Methods: >99.0%
641571-15-5 / 4-methyl-N-[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Basic Information
CAS
641571-15-5
Multi CAS
No
Molecular Formula
C28F3H22N7O
Molecular Weight
529.500000
Exact Mass
529.183793
InChI
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-34-9-7-24(36-27)20-4-3-8-32-15-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-16-33-14-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
InChIKey
LVVDYLLEWIHKDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
29
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
140.98
TPSA
97.62
LogP / Solubility
WLOGP
6.36
MLOGP
5.63
XLogP3
4.9
Consensus LogP
5.63
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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