![CAS 910442-23-8 5-(4-TRIFLUOROMETHOXY-PHENYL)-[1,3,4]OXADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/910442-23-8.gif)
CAS RN: 910442-23-8
5-(4-TRIFLUOROMETHOXY-PHENYL)-[1,3,4]OXADIAZOL-2-YLAMINE
- Product code: SSC-203851
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
910442-23-8 / 5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
Basic Information
CAS
910442-23-8
Multi CAS
No
Molecular Formula
C9F3H6N3O2
Molecular Weight
245.160000
Exact Mass
245.041211
InChI
InChI=1S/C9H6F3N3O2/c10-9(11,12)17-6-3-1-5(2-4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKey
NHLQBNSORVQYNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.83
TPSA
74.17
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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