![CAS 59562-68-4 5-(4-Fluoro-phenyl)-3-methyl-[1,2,4]oxadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59562-68-4.gif)
CAS RN: 59562-68-4
5-(4-Fluoro-phenyl)-3-methyl-[1,2,4]oxadiazole
- Product code: SSC-168069
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
59562-68-4 / 5-(4-fluorophenyl)-3-methyl-1,2,4-oxadiazole
Basic Information
CAS
59562-68-4
Multi CAS
No
Molecular Formula
C9FH7N2O
Molecular Weight
178.160000
Exact Mass
178.054241
InChI
InChI=1S/C9H7FN2O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKey
YTSHBDOOEVBVHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.43
TPSA
38.92
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.26
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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![CAS 59565-51-4 5-(2-Fluoro-phenyl)-[1,3,4]thiadiazol-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59565-51-4.gif)
