![CAS 1379324-86-3 6-bromobenzo[d]isothiazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1379324-86-3.gif)
CAS RN: 1379324-86-3
6-bromobenzo[d]isothiazol-3-amine
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250617 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260110 | 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260528 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250806 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250801 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1379324-86-3
- Purity/Analytical Methods: >99.0%
1379324-86-3 / 6-bromo-1,2-benzothiazol-3-amine
Basic Information
CAS
1379324-86-3
Multi CAS
No
Molecular Formula
C7H5BrN2S
Molecular Weight
229.100000
Exact Mass
227.935680
SMILES
C1=CC2=C(C=C1Br)SN=C2N
InChI
InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKey
YQRGJKVMKDCMBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.73
TPSA
38.91
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.24
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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