CAS RN: 96761-85-2
1,3,5-Tris(3-bromophenyl)benzene
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251126 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: SSC-212097
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
96761-85-2 / 1,3,5-tris(3-bromophenyl)benzene
Basic Information
CAS
96761-85-2
Multi CAS
No
Molecular Formula
C24H15BR3
Molecular Weight
543.100000
Exact Mass
541.870340
InChI
InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
InChIKey
JKCQADHKVQXKFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
125.85
TPSA
0.0000
LogP / Solubility
WLOGP
8.98
MLOGP
7.94
XLogP3
8.9
Consensus LogP
8.61
Log S (ESOL)
-9.32
Class (ESOL)
Insoluble
Log S (Ali)
-10.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11
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)
0.34
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
