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CAS 193944-66-0 4′-AMINO-2,2′:6′,2”-TERPYRIDINE molecular structure lightbox
CAS RN: 193944-66-0

4′-AMINO-2,2′:6′,2”-TERPYRIDINE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250731 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260304 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260406 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260122 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: LINA888187
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193944-66-0 / 2,6-dipyridin-2-ylpyridin-4-amine

Standard CAS: 193944-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193944-66-0
Multi CAS
No
Molecular Formula
C15H12N4
Molecular Weight
248.280000
Exact Mass
248.106196
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)N
InChI
InChI=1S/C15H12N4/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H2,16,19)
InChIKey
ROISIAUYBSOVRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.11
TPSA
64.69

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
1.7
Consensus LogP
2.32
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.26

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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