CAS RN: 1352609-28-9
EW-7195
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.20260525 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352609-28-9
- Purity/Analytical Methods: >99.0%
1352609-28-9 / 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
Basic Information
CAS
1352609-28-9
Multi CAS
No
Molecular Formula
C23H18N8
Molecular Weight
406.400000
Exact Mass
406.165443
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC(=C3)C#N)C4=CN5C(=NC=N5)C=C4
InChI
InChI=1S/C23H18N8/c1-15-4-2-7-19(28-15)23-22(17-8-9-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-6-3-5-16(10-18)11-24/h2-10,13-14,25H,12H2,1H3,(H,29,30)
InChIKey
KEADGKSQIBFYEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
26
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
117.02
TPSA
107.58
LogP / Solubility
WLOGP
3.97
MLOGP
3.52
XLogP3
2.8
Consensus LogP
3.43
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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