CAS RN: 2168863-96-3
6-Isoquinolinecarboxylic acid, 8-fluoro-
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.20250324 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2168863-96-3
- Purity/Analytical Methods: >99.0%
2168863-96-3 / 8-fluoroisoquinoline-6-carboxylic acid
Basic Information
CAS
2168863-96-3
Multi CAS
No
Molecular Formula
C10H6FNO2
Molecular Weight
191.160000
Exact Mass
191.038257
SMILES
C1=CN=CC2=C(C=C(C=C21)C(=O)O)F
InChI
InChI=1S/C10H6FNO2/c11-9-4-7(10(13)14)3-6-1-2-12-5-8(6)9/h1-5H,(H,13,14)
InChIKey
JOAOVXQZDMUHST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.66
TPSA
50.19
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.7
Consensus LogP
1.86
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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