CAS RN: 757947-79-8
N1,N5-bis(pyridin-4-ylmethylene)naphthalene-1,5-diamine
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.20250102 | 10mg / 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS757947-79-8
- Purity/Analytical Methods: >99.0%
757947-79-8 / 1-pyridin-4-yl-N-[5-(pyridin-4-ylmethylideneamino)naphthalen-1-yl]methanimine
Basic Information
CAS
757947-79-8
Multi CAS
No
Molecular Formula
C22H16N4
Molecular Weight
336.400000
Exact Mass
336.137497
InChI
InChI=1S/C22H16N4/c1-3-19-20(21(5-1)25-15-17-7-11-23-12-8-17)4-2-6-22(19)26-16-18-9-13-24-14-10-18/h1-16H
InChIKey
FJXHPRVSTIXUPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
106.93
TPSA
50.5
LogP / Solubility
WLOGP
5.13
MLOGP
4.53
XLogP3
3.6
Consensus LogP
4.42
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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