CAS RN: 439693-30-8
4-((Tert-Butyldiphenylsilyl)Oxy)-2,2-Dimethylbutan-1-Ol
- Product code: SSC-152032
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 |
439693-30-8 / 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutan-1-ol
Basic Information
CAS
439693-30-8
Multi CAS
No
Molecular Formula
C22H32O2Si
Molecular Weight
356.600000
Exact Mass
356.217157
InChI
InChI=1S/C22H32O2Si/c1-21(2,3)25(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-16-22(4,5)18-23/h6-15,23H,16-18H2,1-5H3
InChIKey
DASDLTDKOPBSIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
109.06
TPSA
29.46
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
3.97
Consensus LogP
3.82
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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