CAS RN: 566169-97-9
4-(6-Bromo-2-benzothiazolyl)benzenamine
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250910 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS566169-97-9
- Purity/Analytical Methods: >99.0%
566169-97-9 / 4-(6-bromo-1,3-benzothiazol-2-yl)aniline
Basic Information
CAS
566169-97-9
Multi CAS
No
Molecular Formula
BC13H9Rn2S
Molecular Weight
305.190000
Exact Mass
303.966980
InChI
InChI=1S/C13H9BrN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKey
WZRRXNJALRCBNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.17
TPSA
38.91
LogP / Solubility
WLOGP
4.31
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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