![CAS 55119-40-9 N,N’-([1,1′-biphenyl]-4,4′-diyl)diisonicotinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/17778600.png)
CAS RN: 55119-40-9
N,N’-([1,1′-biphenyl]-4,4′-diyl)diisonicotinamide
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.20250304 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINN914044
55119-40-9 / N-[4-[4-(pyridine-4-carbonylamino)phenyl]phenyl]pyridine-4-carboxamide
Basic Information
CAS
55119-40-9
Multi CAS
No
Molecular Formula
C24H18N4O2
Molecular Weight
394.400000
Exact Mass
394.142976
InChI
InChI=1S/C24H18N4O2/c29-23(19-9-13-25-14-10-19)27-21-5-1-17(2-6-21)18-3-7-22(8-4-18)28-24(30)20-11-15-26-16-12-20/h1-16H,(H,27,29)(H,28,30)
InChIKey
XNJSGAADEFNRJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.26
TPSA
83.98
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
3.1
Consensus LogP
3.95
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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