CAS RN: 1259280-37-9
2-(9,9-Diphenyl-9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250116 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-031305
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 |
1259280-37-9 / 2-(9,9-diphenylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1259280-37-9
Multi CAS
No
Molecular Formula
C31H29BO2
Molecular Weight
444.400000
Exact Mass
444.226060
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C4=CC=CC=C4C(C3=CC=C2)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H29BO2/c1-29(2)30(3,4)34-32(33-29)27-21-13-20-26-28(27)24-18-11-12-19-25(24)31(26,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-21H,1-4H3
InChIKey
WTFLXHPXCVWFEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
139.46
TPSA
18.46
LogP / Solubility
WLOGP
6.35
MLOGP
5.62
XLogP3
6.35
Consensus LogP
6.11
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 939430-30-5 3-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3313-jpgcontextbwfzdgvyfhjvb3r8mzu0mtn8aw1hz2uvanblz3xozjqvagywlzg5mzi3mdmxnde5mtgvvdmzmtmuanbnfdu4ogm4ognjzmjhowrlzjm2ywe0mwziymmyzju0yzm3n2y1y2nhngm2zdvknzgymmywnzczy2vhnjuxmjnlyzg.jpeg)