CAS RN: 83420-57-9
Pyridine, 4-(4-ethynylphenyl)-
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.20250315 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83420-57-9
- Purity/Analytical Methods: >99.0%
83420-57-9 / 4-(4-ethynylphenyl)pyridine
Basic Information
CAS
83420-57-9
Multi CAS
No
Molecular Formula
C13H9N
Molecular Weight
179.220000
Exact Mass
179.073499
InChI
InChI=1S/C13H9N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-10H
InChIKey
SRTDAMGILHTMNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.61
TPSA
12.89
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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