CAS RN: 890148-78-4
2,4,6-Tris(3-bromophenyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
- Product code: SSC-200861
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
890148-78-4 / 2,4,6-tris(3-bromophenyl)-1,3,5-triazine
Basic Information
CAS
890148-78-4
Multi CAS
No
Molecular Formula
C21H12BR3N3
Molecular Weight
546.100000
Exact Mass
544.856090
InChI
InChI=1S/C21H12Br3N3/c22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-12H
InChIKey
IWHHYACTSSPXDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
119.23
TPSA
38.67
LogP / Solubility
WLOGP
7.16
MLOGP
6.34
XLogP3
7
Consensus LogP
6.83
Log S (ESOL)
-8.2
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1219956-23-6 2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5271-jpgcontextbwfzdgvyfhjvb3r8mzywmtn8aw1hz2uvanblz3xonjmvadnklzg5mzaznju1mzgzmzqvrduynzeuanbnfgjhzmnjotdkyjg0mtyxzti3mgq2nznjndfioty3ywvlzgzjzjg4nzflzju5zwu2ntq0mmfimtuwnwi4zdg0ytm.jpeg)
