CAS RN: 135006-32-5
(But-3-en-1-yloxy)(tert-butyl)diphenylsilane
- Product code: SSC-042868
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 | Beijing | Inquiry |
135006-32-5 / but-3-enoxy-tert-butyl-diphenylsilane
Basic Information
CAS
135006-32-5
Multi CAS
No
Molecular Formula
C20H26OSi
Molecular Weight
310.500000
Exact Mass
310.175292
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC=C
InChI
InChI=1S/C20H26OSi/c1-5-6-17-21-22(20(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h5,7-16H,1,6,17H2,2-4H3
InChIKey
VKJSAFNFDZSGDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
98.39
TPSA
9.23
LogP / Solubility
WLOGP
4.14
MLOGP
3.66
XLogP3
4.14
Consensus LogP
3.98
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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