CAS RN: 890704-02-6
4,7-Dibromo-2-(6-bromohexyl)benzotriazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260216 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250819 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260329 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250519 | 5g | Out of stock | Inquiry |
- Product code: ICTD4514
- Purity/Analytical Methods: >97.0%(GC)
890704-02-6 / 4,7-dibromo-2-(6-bromohexyl)benzotriazole
Basic Information
CAS
890704-02-6
Multi CAS
No
Molecular Formula
C12H14BR3N3
Molecular Weight
439.970000
Exact Mass
438.871740
InChI
InChI=1S/C12H14Br3N3/c13-7-3-1-2-4-8-18-16-11-9(14)5-6-10(15)12(11)17-18/h5-6H,1-4,7-8H2
InChIKey
VWPRIVLLHDPAJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
85.19
TPSA
30.71
LogP / Solubility
WLOGP
4.91
MLOGP
4.35
XLogP3
5.2
Consensus LogP
4.82
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 333432-27-2 4,7-Dibromo[1,2,5]thiadiazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4442-jpgcontextbwfzdgvyfhjvb3r8mzuzntn8aw1hz2uvanblz3xomdkvadk0lzg5mzayotazmdmwmdyvrdq0ndiuanbnfdjmythlytgxzmywnjg2mgqyyzfjnzcwywe0yznjm2iwnjjjndmxnzkwm2uyzmi3nwu2otc4mdhmmtrjywm5nty.jpeg)
