CAS RN: 16222-44-9
4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069776
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 |
16222-44-9 / 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
Basic Information
CAS
16222-44-9
Multi CAS
No
Molecular Formula
C11H13F3O
Molecular Weight
218.210000
Exact Mass
218.091850
SMILES
CC(C)(C)OC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3
InChIKey
YXTJJRXJNYHJPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.83
TPSA
9.23
LogP / Solubility
WLOGP
3.88
MLOGP
3.42
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
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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