CAS RN: 518058-50-9
6-naphthalen-1-ylpyridine-2-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.20250606 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS518058-50-9
- Purity/Analytical Methods: >99.0%
518058-50-9 / 6-naphthalen-1-ylpyridine-2-carbaldehyde
Basic Information
CAS
518058-50-9
Multi CAS
No
Molecular Formula
C16H11NO
Molecular Weight
233.260000
Exact Mass
233.084064
InChI
InChI=1S/C16H11NO/c18-11-13-7-4-10-16(17-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H
InChIKey
PPPFLBHBKQTOEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.57
TPSA
29.96
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.53
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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