![CAS 435303-34-7 5-CHLOROMETHYL-3-(4-TRIFLUOROMETHYL-PHENYL)-[1,2,4]OXADIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/435303-34-7.gif)
CAS RN: 435303-34-7
5-CHLOROMETHYL-3-(4-TRIFLUOROMETHYL-PHENYL)-[1,2,4]OXADIAZOLE
- Product code: SSC-151715
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
435303-34-7 / 5-(chloromethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Basic Information
CAS
435303-34-7
Multi CAS
No
Molecular Formula
C10H6CLF3N2O
Molecular Weight
262.610000
Exact Mass
262.012075
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(16-17-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKey
CZMWNOPTKAFPDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.29
TPSA
38.92
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.3
Consensus LogP
3.29
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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