CAS RN: 850153-24-1
N,N-Bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251226 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-192884
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
850153-24-1 / N,N-bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Basic Information
CAS
850153-24-1
Multi CAS
No
Molecular Formula
C24H24BBR2NO2
Molecular Weight
529.100000
Exact Mass
529.024630
InChI
InChI=1S/C24H24BBr2NO2/c1-23(2)24(3,4)30-25(29-23)17-5-11-20(12-6-17)28(21-13-7-18(26)8-14-21)22-15-9-19(27)10-16-22/h5-16H,1-4H3
InChIKey
XVOQIMZHMJQJEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
132.24
TPSA
21.7
LogP / Solubility
WLOGP
6.98
MLOGP
6.18
XLogP3
6.98
Consensus LogP
6.71
Log S (ESOL)
-7.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.37
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.99
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
3
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