CAS RN: 2275774-60-0
BAY 2666605
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250801 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250819 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260305 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250120 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-110885
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 | Shanghai | Inquiry |
2275774-60-0 / 5-[4-(4-fluorophenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
Basic Information
CAS
2275774-60-0
Multi CAS
No
Molecular Formula
C17H12F4N2O2
Molecular Weight
352.280000
Exact Mass
352.083490
SMILES
CC1C(=NNC(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C17H12F4N2O2/c1-9-15(22-23-16(24)25-9)11-4-7-13(14(8-11)17(19,20)21)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,23,24)/t9-/m0/s1
InChIKey
JNTJTCXFIXNXDV-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.45
TPSA
50.69
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
4.5
Consensus LogP
4.23
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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