CAS RN: 1179149-37-1
6-FLUOROISOQUINOLINE-1-CARBOXYLIC ACID
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.20250226 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1179149-37-1
- Purity/Analytical Methods: >99.0%
1179149-37-1 / 6-fluoroisoquinoline-1-carboxylic acid
6-FLUOROISOQUINOLINE-1-CARBOXYLIC ACID | 6-Fluoro-1-isoquinolinecarboxylic acid | MFCD20638782
Basic Information
CAS
1179149-37-1
Multi CAS
No
Molecular Formula
C10H6FNO2
Molecular Weight
191.160000
Exact Mass
191.038257
SMILES
C1=CC2=C(C=CN=C2C(=O)O)C=C1F
InChI
InChI=1S/C10H6FNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14/h1-5H,(H,13,14)
InChIKey
FBTAZJOMYWXIER-UHFFFAOYSA-N
Synonyms
6-FLUOROISOQUINOLINE-1-CARBOXYLIC ACID
6-Fluoro-1-isoquinolinecarboxylic acid
MFCD20638782
SCHEMBL755959
DB-415045
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
2.1
Consensus LogP
2
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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