CAS RN: 492444-04-9
5-FLUORO-1,3-BENZODIOXOL-4-AMINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250323 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250508 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20251023 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260402 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS492444-04-9
- Purity/Analytical Methods: >99.0%
492444-04-9 / 5-fluoro-1,3-benzodioxol-4-amine
Basic Information
CAS
492444-04-9
Multi CAS
No
Molecular Formula
C7FH6NO2
Molecular Weight
155.130000
Exact Mass
155.038257
InChI
InChI=1S/C7H6FNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2
InChIKey
HXEMSUWXUXWSHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.94
TPSA
44.48
LogP / Solubility
WLOGP
1.14
MLOGP
0.99
XLogP3
1.2
Consensus LogP
1.11
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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