![CAS 1215206-49-7 4-Bromo-6-chlorobenzo[c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1215206-49-7.gif)
CAS RN: 1215206-49-7
4-Bromo-6-chlorobenzo[c][1,2,5]thiadiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1215206-49-7
- Purity/Analytical Methods: >99.0%
1215206-49-7 / 4-bromo-6-chloro-2,1,3-benzothiadiazole
Basic Information
CAS
1215206-49-7
Multi CAS
No
Molecular Formula
C6H2BrClN2S
Molecular Weight
249.520000
Exact Mass
247.881060
SMILES
C1=C(C=C(C2=NSN=C21)Br)Cl
InChI
InChI=1S/C6H2BrClN2S/c7-4-1-3(8)2-5-6(4)10-11-9-5/h1-2H
InChIKey
CKCVNBIVPGTEST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.12
TPSA
25.78
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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