CAS RN: 13669-67-5
3-Quinolinecarbonitrile,6-amino-(8CI)
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.20260629 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13669-67-5
- Purity/Analytical Methods: >99.0%
13669-67-5 / 6-aminoquinoline-3-carbonitrile
Basic Information
CAS
13669-67-5
Multi CAS
No
Molecular Formula
C10H7N3
Molecular Weight
169.180000
Exact Mass
169.063997
SMILES
C1=CC2=NC=C(C=C2C=C1N)C#N
InChI
InChI=1S/C10H7N3/c11-5-7-3-8-4-9(12)1-2-10(8)13-6-7/h1-4,6H,12H2
InChIKey
RUBZFZDEKLOULN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.87
TPSA
62.7
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
0.9
Consensus LogP
1.36
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.55
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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