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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
752-28-3 / 1,1,2,3,4,5-hexakis-phenylsilole
Basic Information
CAS
752-28-3
Multi CAS
No
Molecular Formula
C40H30Si
Molecular Weight
538.700000
Exact Mass
538.211677
InChI
InChI=1S/C40H30Si/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)41(35-27-15-5-16-28-35,36-29-17-6-18-30-36)39(37)33-23-11-3-12-24-33/h1-30H
InChIKey
QAKMXYFDVPDIPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
177.3
TPSA
0.0000
LogP / Solubility
WLOGP
8.56
MLOGP
7.58
XLogP3
8.56
Consensus LogP
8.23
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-10.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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