CAS RN: 23039-06-7
2-fluoroisophthalonitrile
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.20260513 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23039-06-7
- Purity/Analytical Methods: >99.0%
23039-06-7 / 2-fluorobenzene-1,3-dicarbonitrile
Basic Information
CAS
23039-06-7
Multi CAS
No
Molecular Formula
C8H3FN2
Molecular Weight
146.120000
Exact Mass
146.028026
InChI
InChI=1S/C8H3FN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChIKey
IFPAXLQMTRSDNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
35.83
TPSA
47.58
LogP / Solubility
WLOGP
1.57
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
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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