CAS RN: 29270-55-1
4-Fluoro-2,1,3-benzoxadiazole
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock1 grade group
- Product code: SSC-131913
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
29270-55-1 / 4-fluoro-2,1,3-benzoxadiazole
Basic Information
CAS
29270-55-1
Multi CAS
No
Molecular Formula
C6FH3N2O
Molecular Weight
138.100000
Exact Mass
138.022941
InChI
InChI=1S/C6H3FN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey
QKZQJBBZKDVVFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
31.76
TPSA
38.92
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.6
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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