CAS RN: 51746-85-1
3-(1H-Imidazol-4-yl)pyridine
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.20251011 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51746-85-1
- Purity/Analytical Methods: >99.0%
51746-85-1 / 3-(1H-imidazol-5-yl)pyridine
Basic Information
CAS
51746-85-1
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
InChI
InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChIKey
YFOKBFRTGLSZLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.82
TPSA
41.57
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
0.7
Consensus LogP
1.15
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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