CAS RN: 1690315-37-7
2,4,6-tris(2-bromophenyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-073667
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1690315-37-7 / 2,4,6-tris(2-bromophenyl)-1,3,5-triazine
Basic Information
CAS
1690315-37-7
Multi CAS
No
Molecular Formula
C21H12Br3N3
Molecular Weight
546.100000
Exact Mass
544.856090
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=N2)C3=CC=CC=C3Br)C4=CC=CC=C4Br)Br
InChI
InChI=1S/C21H12Br3N3/c22-16-10-4-1-7-13(16)19-25-20(14-8-2-5-11-17(14)23)27-21(26-19)15-9-3-6-12-18(15)24/h1-12H
InChIKey
CTURUJRMTZHZGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
119.24
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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