CAS RN: 357219-41-1
9,9-Bis(2-ethylhexyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
- Product code: SSC-142779
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 |
357219-41-1 / 2-[9,9-bis(2-ethylhexyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
357219-41-1
Multi CAS
No
Molecular Formula
B2C41H64O4
Molecular Weight
642.600000
Exact Mass
642.499071
InChI
InChI=1S/C41H64B2O4/c1-13-17-19-29(15-3)27-41(28-30(16-4)20-18-14-2)35-25-31(42-44-37(5,6)38(7,8)45-42)21-23-33(35)34-24-22-32(26-36(34)41)43-46-39(9,10)40(11,12)47-43/h21-26,29-30H,13-20,27-28H2,1-12H3
InChIKey
SMQUVDNJQVDOLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
199.94
TPSA
36.92
LogP / Solubility
WLOGP
9.76
MLOGP
8.65
XLogP3
9.76
Consensus LogP
9.39
Log S (ESOL)
-9.24
Class (ESOL)
Insoluble
Log S (Ali)
-11.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.62
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)
0.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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