CAS RN: 1214384-80-1
Benzenamine, 2,5-di-4-pyridinyl-
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.20250618 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1214384-80-1
- Purity/Analytical Methods: >99.0%
1214384-80-1 / 2,5-dipyridin-4-ylaniline
Basic Information
CAS
1214384-80-1
Multi CAS
No
Molecular Formula
C16H13N3
Molecular Weight
247.290000
Exact Mass
247.110947
SMILES
C1=CC(=C(C=C1C2=CC=NC=C2)N)C3=CC=NC=C3
InChI
InChI=1S/C16H13N3/c17-16-11-14(12-3-7-18-8-4-12)1-2-15(16)13-5-9-19-10-6-13/h1-11H,17H2
InChIKey
OJZUWTBFTROOOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.32
TPSA
51.8
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
2.4
Consensus LogP
2.93
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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