CAS RN: 259750-59-9
1H-Indazole,3-ethyl-6-fluoro-(9CI)
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.20260101 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS259750-59-9
- Purity/Analytical Methods: >99.0%
259750-59-9 / 3-ethyl-6-fluoro-2H-indazole
Basic Information
CAS
259750-59-9
Multi CAS
No
Molecular Formula
C9FH9N2
Molecular Weight
164.180000
Exact Mass
164.074976
InChI
InChI=1S/C9H9FN2/c1-2-8-7-4-3-6(10)5-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
InChIKey
ICWGBAFJCUHSHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.43
TPSA
28.68
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.11
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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