CAS RN: 29102-67-8
1,3,5-Tris(3,5-dibromophenyl)benzene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-131332
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 | Shanghai | Inquiry |
29102-67-8 / 1,3,5-tris(3,5-dibromophenyl)benzene
Basic Information
CAS
29102-67-8
Multi CAS
No
Molecular Formula
C24H12BR6
Molecular Weight
779.800000
Exact Mass
779.597780
InChI
InChI=1S/C24H12Br6/c25-19-4-16(5-20(26)10-19)13-1-14(17-6-21(27)11-22(28)7-17)3-15(2-13)18-8-23(29)12-24(30)9-18/h1-12H
InChIKey
VBMGLVNBADCRDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
148.95
TPSA
0.0000
LogP / Solubility
WLOGP
11.26
MLOGP
9.98
XLogP3
10.9
Consensus LogP
10.71
Log S (ESOL)
-12.16
Class (ESOL)
Insoluble
Log S (Ali)
-14.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.44
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)
0.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
