CAS RN: 153467-49-3
tri(pyridin-3-yl)amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260321 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS153467-49-3
- Purity/Analytical Methods: >99.0%
153467-49-3 / N,N-dipyridin-3-ylpyridin-3-amine
Basic Information
CAS
153467-49-3
Multi CAS
No
Molecular Formula
C15H12N4
Molecular Weight
248.280000
Exact Mass
248.106196
SMILES
C1=CC(=CN=C1)N(C2=CN=CC=C2)C3=CN=CC=C3
InChI
InChI=1S/C15H12N4/c1-4-13(10-16-7-1)19(14-5-2-8-17-11-14)15-6-3-9-18-12-15/h1-12H
InChIKey
PSUXVBSSAMBTKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
74.51
TPSA
41.91
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2
Consensus LogP
2.76
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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