![CAS 133546-50-6 5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5288-jpgcontextbwfzdgvyfhjvb3r8mzy0njz8aw1hz2uvanblz3xonmmvadk5lzg5mzaznjyxmjgxntgvrduyodguanbnfgy4ndzhzmvizdg2ytu5ndhmothhogvindq3zwrmyjy1ntjinwy0nzbjzmfmyzk4ywvizwu4ntkxodhlnjy2nte.jpeg)
CAS RN: 133546-50-6
5,10-Dibromonaphtho[1,2-c:5,6-c’]bis([1,2,5]thiadiazole)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250330 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTD5288
- Purity/Analytical Methods: >96.0%(HPLC)
133546-50-6 / 5,10-dibromo-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
Basic Information
CAS
133546-50-6
Multi CAS
No
Molecular Formula
C10H2Br2N4S2
Molecular Weight
402.100000
Exact Mass
401.806710
SMILES
C1=C(C2=NSN=C2C3=C1C4=NSN=C4C(=C3)Br)Br
InChI
InChI=1S/C10H2Br2N4S2/c11-5-1-3-4(8-9(5)15-18-14-8)2-6(12)10-7(3)13-17-16-10/h1-2H
InChIKey
BHPAAVZSQLQZAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
H-bond acceptors
6
Molar refractivity
81.29
TPSA
51.56
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
4.3
Consensus LogP
4.18
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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