CAS RN: 6957-22-8
isonicotinaldehyde (4-pyridylmethylene)hydrazone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260304 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS6957-22-8
- Purity/Analytical Methods: >99.0%
6957-22-8 / 1-pyridin-4-yl-N-(pyridin-4-ylmethylideneamino)methanimine
Basic Information
CAS
6957-22-8
Multi CAS
Yes
Molecular Formula
C12H10N4
Molecular Weight
210.230000
Exact Mass
210.090546
InChI
InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H
InChIKey
XLLIUDMGQNPRJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.66
TPSA
50.5
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.63
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
