CAS RN: 7216-42-4
4-PYRIDINECARBOXALDEHYDE N-OXIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250111 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7216-42-4
- Purity/Analytical Methods: >99.0%
7216-42-4 / 1-oxidopyridin-1-ium-4-carbaldehyde
Basic Information
CAS
7216-42-4
Multi CAS
Yes
Molecular Formula
C6H5NO2
Molecular Weight
123.110000
Exact Mass
123.032028
InChI
InChI=1S/C6H5NO2/c8-5-6-1-3-7(9)4-2-6/h1-5H
InChIKey
ZAZQKVZJRMHPQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.79
TPSA
44.01
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
-1.2
Consensus LogP
-0.32
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.38
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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- Product Code: starshine_CAS7220-81-7
- Purity/Analytical method: >99.0%
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