CAS RN: 741253-03-2
6-BROMO-2-BENZOTHIAZOLECARBONITRILE
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.20260618 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS741253-03-2
- Purity/Analytical Methods: >99.0%
741253-03-2 / 6-bromo-1,3-benzothiazole-2-carbonitrile
Basic Information
CAS
741253-03-2
Multi CAS
No
Molecular Formula
BC8H3Rn2S
Molecular Weight
239.090000
Exact Mass
237.920030
InChI
InChI=1S/C8H3BrN2S/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H
InChIKey
LITDULGWAMMAPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
52.04
TPSA
36.68
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.1
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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