![CAS 1261268-92-1 5-[2-(TrifluoroMethoxy)phenyl]-2H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261268-92-1.gif)
CAS RN: 1261268-92-1
5-[2-(TrifluoroMethoxy)phenyl]-2H-tetrazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-032425
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1261268-92-1 / 5-[2-(trifluoromethoxy)phenyl]-2H-tetrazole
Basic Information
CAS
1261268-92-1
Multi CAS
No
Molecular Formula
C8H5F3N4O
Molecular Weight
230.150000
Exact Mass
230.041545
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)OC(F)(F)F
InChI
InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKey
DDHPQTFUZBZZBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.3
TPSA
63.69
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.87
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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![CAS 1261268-95-4 N-[4-(5-IsobutyraMido-1H-benzoiMidazol-2-yl)phenyl]benzaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261268-95-4.gif)
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