CAS RN: 302554-81-0
2-(9,9-Di-n-octyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shandong, Hebei | Inquiry |
- Product code: SSC-134083
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 | Shenzhen | Inquiry |
302554-81-0 / 2-(9,9-dioctylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
302554-81-0
Multi CAS
Yes
Molecular Formula
BC35H53O2
Molecular Weight
516.600000
Exact Mass
516.413861
InChI
InChI=1S/C35H53BO2/c1-7-9-11-13-15-19-25-35(26-20-16-14-12-10-8-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)35)36-37-33(3,4)34(5,6)38-36/h17-18,21-24,27H,7-16,19-20,25-26H2,1-6H3
InChIKey
VOASJDUTCQKQLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
164.36
TPSA
18.46
LogP / Solubility
WLOGP
9.75
MLOGP
8.62
XLogP3
9.75
Consensus LogP
9.37
Log S (ESOL)
-8.43
Class (ESOL)
Insoluble
Log S (Ali)
-10.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.91
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)
1.05
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
4.5
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