CAS RN: 805250-54-8
2-AMino-5,6-dihydro-4H-benzothiazol -7-one hydrobroMide
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.20250407 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS805250-54-8
- Purity/Analytical Methods: >99.0%
805250-54-8 / 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one;hydrobromide
Basic Information
CAS
805250-54-8
Multi CAS
No
Molecular Formula
BC7H9ORn2S
Molecular Weight
249.130000
Exact Mass
247.961900
InChI
InChI=1S/C7H8N2OS.BrH/c8-7-9-4-2-1-3-5(10)6(4)11-7;/h1-3H2,(H2,8,9);1H
InChIKey
RGIACPTWMIHUNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.12
TPSA
55.98
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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