CAS RN: 396-29-2
3-Fluoroisoquinoline
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.20260323 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS396-29-2
- Purity/Analytical Methods: >99.0%
396-29-2 / 3-fluoroisoquinoline
Basic Information
CAS
396-29-2
Multi CAS
No
Molecular Formula
C9FH6N
Molecular Weight
147.150000
Exact Mass
147.048427
InChI
InChI=1S/C9H6FN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
InChIKey
DTWZAGQENHHNKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
41.7
TPSA
12.89
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-1.93
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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- CAS RN: 398-24-3
- Product Code: starshine_CAS398-24-3
- Purity/Analytical method: >99.0%
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