CAS RN: 71083-60-8
6-Fluoro-4-hydroxyquinoline-3- carbonitrile
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINF926986
71083-60-8 / 6-fluoro-4-oxo-1H-quinoline-3-carbonitrile
Basic Information
CAS
71083-60-8
Multi CAS
No
Molecular Formula
C10FH5N2O
Molecular Weight
188.160000
Exact Mass
188.038591
InChI
InChI=1S/C10H5FN2O/c11-7-1-2-9-8(3-7)10(14)6(4-12)5-13-9/h1-3,5H,(H,13,14)
InChIKey
BHNUHFWMNOYIAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.24
TPSA
56.65
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.78
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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