CAS RN: 579500-16-6
2-Pyridinecarboxaldehyde,6-ethenyl-(9CI)
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.20251204 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS579500-16-6
- Purity/Analytical Methods: >99.0%
579500-16-6 / 6-ethenylpyridine-2-carbaldehyde
Basic Information
CAS
579500-16-6
Multi CAS
No
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
InChI
InChI=1S/C8H7NO/c1-2-7-4-3-5-8(6-10)9-7/h2-6H,1H2
InChIKey
JCBPXAKSXUHFJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.72
TPSA
29.96
LogP / Solubility
WLOGP
1.54
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.44
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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