CAS RN: 1159983-16-0
7-fluoro-6-methylisoquinoline
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.20251129 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1159983-16-0
- Purity/Analytical Methods: >99.0%
1159983-16-0 / 7-fluoro-6-methylisoquinoline
7-FLUORO-6-METHYLISOQUINOLINE | Isoquinoline, 7-fluoro-6-methyl- | 7-fluoro-6-methyl-isoquinoline
Basic Information
CAS
1159983-16-0
Multi CAS
No
Molecular Formula
C10H8FN
Molecular Weight
161.180000
Exact Mass
161.064077
SMILES
CC1=CC2=C(C=C1F)C=NC=C2
InChI
InChI=1S/C10H8FN/c1-7-4-8-2-3-12-6-9(8)5-10(7)11/h2-6H,1H3
InChIKey
OIYKCANGVQTPQP-UHFFFAOYSA-N
Synonyms
7-FLUORO-6-METHYLISOQUINOLINE
Isoquinoline, 7-fluoro-6-methyl-
7-fluoro-6-methyl-isoquinoline
SCHEMBL8287083
DTXSID90612151
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
46.44
TPSA
12.89
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.8
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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