![CAS 28694-40-8 [1,6]NAPHTHYRIDINE-5-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6280372.gif)
CAS RN: 28694-40-8
[1,6]NAPHTHYRIDINE-5-CARBONITRILE
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.20250604 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28694-40-8
- Purity/Analytical Methods: >99.0%
28694-40-8 / 1,6-naphthyridine-5-carbonitrile
Basic Information
CAS
28694-40-8
Multi CAS
No
Molecular Formula
C9H5N3
Molecular Weight
155.160000
Exact Mass
155.048347
SMILES
C1=CC2=C(C=CN=C2C#N)N=C1
InChI
InChI=1S/C9H5N3/c10-6-9-7-2-1-4-11-8(7)3-5-12-9/h1-5H
InChIKey
MAFYIHVFQQCKHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
44.25
TPSA
49.57
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
