CAS RN: 1841081-81-9
4-fluoroisoquinolin-8-amine
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.20250219 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1841081-81-9
- Purity/Analytical Methods: >99.0%
1841081-81-9 / 4-fluoroisoquinolin-8-amine
Basic Information
CAS
1841081-81-9
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
C1=CC2=C(C=NC=C2C(=C1)N)F
InChI
InChI=1S/C9H7FN2/c10-8-5-12-4-7-6(8)2-1-3-9(7)11/h1-5H,11H2
InChIKey
UCWBARZJJJUCDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.11
TPSA
38.91
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.32
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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