CAS RN: 1570496-34-2
5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
Product Availability
Choose a grade to view its available package options.
12 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250720 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250710 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250303 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250104 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251222 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-066237
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 | Beijing | Inquiry |
1570496-34-2 / 5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
Basic Information
CAS
1570496-34-2
Multi CAS
No
Molecular Formula
C25H25F3N6O4S
Molecular Weight
562.600000
Exact Mass
562.161009
SMILES
CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3
InChIKey
HWJWNWZJUYCGKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
135.79
TPSA
116.24
LogP / Solubility
WLOGP
4.26
MLOGP
3.8
XLogP3
4.8
Consensus LogP
4.29
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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