CAS RN: 850429-64-0
4,5-DIFLUOROOXINDOLE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250127 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250705 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS850429-64-0
- Purity/Analytical Methods: >99.0%
850429-64-0 / 4,5-difluoro-1,3-dihydroindol-2-one
Basic Information
CAS
850429-64-0
Multi CAS
No
Molecular Formula
C8F2H5NO
Molecular Weight
169.130000
Exact Mass
169.033920
InChI
InChI=1S/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)
InChIKey
YUPHSWQGQCGBQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.69
TPSA
29.1
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-2.72
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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