CAS RN: 50850-98-1
2-Benzothiazolamine,5-chloro-6-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS50850-98-1
- Purity/Analytical Methods: >99.0%
50850-98-1 / 5-chloro-6-methyl-1,3-benzothiazol-2-amine
Basic Information
CAS
50850-98-1
Multi CAS
No
Molecular Formula
C8H7CLN2S
Molecular Weight
198.670000
Exact Mass
198.001847
InChI
InChI=1S/C8H7ClN2S/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKey
FFWBEOJHVGXEMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
38.91
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-1.92
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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