CAS RN: 1061353-68-1
SR2516
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250322 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251010 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250807 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260429 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1061353-68-1
- Purity/Analytical Methods: >99.0%
1061353-68-1 / 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PND-1186 | VS-4718 | PND1186
Basic Information
CAS
1061353-68-1
Multi CAS
No
Molecular Formula
C25H26F3N5O3
Molecular Weight
501.500000
Exact Mass
501.198774
SMILES
CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC
InChI
InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)
InChIKey
IGUBBWJDMLCRIK-UHFFFAOYSA-N
Synonyms
PND-1186
VS-4718
PND1186
PND 1186
L2BD0MW4OL
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
131.66
TPSA
87.75
LogP / Solubility
WLOGP
4.79
MLOGP
4.25
XLogP3
4.7
Consensus LogP
4.58
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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