CAS RN: 63330-57-4
2-Benzothiazolamine,4-chloro-, hydrochloride (1:1)
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.20250405 | 25g / 100g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS63330-57-4
- Purity/Analytical Methods: >99.0%
63330-57-4 / 4-chloro-1,3-benzothiazol-2-amine;hydrochloride
Basic Information
CAS
63330-57-4
Multi CAS
No
Molecular Formula
C7H6CL2N2S
Molecular Weight
221.110000
Exact Mass
219.962875
InChI
InChI=1S/C7H5ClN2S.ClH/c8-4-2-1-3-5-6(4)10-7(9)11-5;/h1-3H,(H2,9,10);1H
InChIKey
LLHPVALKHUEAJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.29
TPSA
38.91
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.97
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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