CAS RN: 1214384-36-7
5-(pyridin-4-yl)pyridine-3-carbaldehyde
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.20251123 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214384-36-7
- Purity/Analytical Methods: >99.0%
1214384-36-7 / 5-pyridin-4-ylpyridine-3-carbaldehyde
Basic Information
CAS
1214384-36-7
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
C1=CN=CC=C1C2=CN=CC(=C2)C=O
InChI
InChI=1S/C11H8N2O/c14-8-9-5-11(7-13-6-9)10-1-3-12-4-2-10/h1-8H
InChIKey
MSFXEBYIABYKGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.86
TPSA
42.85
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
0.9
Consensus LogP
1.53
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.45
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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