CAS RN: 917827-99-7
tert-butyl(3,5-difluorophenoxy)dimethylsilane
- Product code: SSC-205214
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 | Shanghai | Inquiry |
917827-99-7 / tert-butyl-(3,5-difluorophenoxy)-dimethylsilane
Basic Information
CAS
917827-99-7
Multi CAS
No
Molecular Formula
C12F2H18OSi
Molecular Weight
244.350000
Exact Mass
244.109498
InChI
InChI=1S/C12H18F2OSi/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h6-8H,1-5H3
InChIKey
PZQUXRDXGBJVAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
64.18
TPSA
9.23
LogP / Solubility
WLOGP
4.35
MLOGP
3.83
XLogP3
4.35
Consensus LogP
4.18
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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