![CAS 1242336-51-1 5-Bromo-6-fluorobenzo[c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1242336-51-1.gif)
CAS RN: 1242336-51-1
5-Bromo-6-fluorobenzo[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.20260330 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1242336-51-1
- Purity/Analytical Methods: >99.0%
1242336-51-1 / 5-bromo-6-fluoro-2,1,3-benzothiadiazole
Basic Information
CAS
1242336-51-1
Multi CAS
No
Molecular Formula
C6H2BrFN2S
Molecular Weight
233.060000
Exact Mass
231.910610
SMILES
C1=C(C(=CC2=NSN=C21)Br)F
InChI
InChI=1S/C6H2BrFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
ASAVGHCROROMLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.07
TPSA
25.78
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.3
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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