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 | Shenzhen | Inquiry |
4424-00-4 / tetrabenzyl silicate
Basic Information
CAS
4424-00-4
Multi CAS
No
Molecular Formula
C28H28O4Si
Molecular Weight
456.600000
Exact Mass
456.175686
InChI
InChI=1S/C28H28O4Si/c1-5-13-25(14-6-1)21-29-33(30-22-26-15-7-2-8-16-26,31-23-27-17-9-3-10-18-27)32-24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
BINKQJJWJHNOSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
130.68
TPSA
36.92
LogP / Solubility
WLOGP
6.29
MLOGP
5.57
XLogP3
6.29
Consensus LogP
6.05
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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