![CAS 1221793-59-4 4,6-Difluorobenzo[c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221793-59-4.gif)
CAS RN: 1221793-59-4
4,6-Difluorobenzo[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.20260324 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221793-59-4
- Purity/Analytical Methods: >99.0%
1221793-59-4 / 4,6-difluoro-2,1,3-benzothiadiazole
Basic Information
CAS
1221793-59-4
Multi CAS
No
Molecular Formula
C6H2F2N2S
Molecular Weight
172.160000
Exact Mass
171.990676
SMILES
C1=C(C=C(C2=NSN=C21)F)F
InChI
InChI=1S/C6H2F2N2S/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKey
GEGUVPYPLOQEHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
37.33
TPSA
25.78
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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