![CAS 728911-52-2 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9′-spirobi[9H-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5656-jpgcontextbwfzdgvyfhjvb3r8mzg0nth8aw1hz2uvanblz3xozmuvadlklzg5mjkymte1mtq5mtavqju2ntyuanbnfgyzm2nkymy3zty4ndhjn2mzzgnkoti2n2fiymmzotk4m2jhzgewy2exnwu5owy4mmmxndy1mtringvhytbkmdc.jpeg)
CAS RN: 728911-52-2
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9′-spirobi[9H-fluorene]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260331 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-182373
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 | Beijing | Inquiry |
728911-52-2 / 4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane
Basic Information
CAS
728911-52-2
Multi CAS
No
Molecular Formula
B2C37H38O4
Molecular Weight
568.300000
Exact Mass
568.295620
InChI
InChI=1S/C37H38B2O4/c1-33(2)34(3,4)41-38(40-33)23-17-19-27-28-20-18-24(39-42-35(5,6)36(7,8)43-39)22-32(28)37(31(27)21-23)29-15-11-9-13-25(29)26-14-10-12-16-30(26)37/h9-22H,1-8H3
InChIKey
GKPGYJFGTIZCRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
174.17
TPSA
36.92
LogP / Solubility
WLOGP
6.63
MLOGP
5.88
XLogP3
6.63
Consensus LogP
6.38
Log S (ESOL)
-7.82
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
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)
-1.48
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
7.5
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