![CAS 1279721-68-4 3-bromoimidazo[5,1-b]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1279721-68-4.gif)
CAS RN: 1279721-68-4
3-bromoimidazo[5,1-b]thiazole
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.20251104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1279721-68-4
- Purity/Analytical Methods: >99.0%
1279721-68-4 / 3-bromoimidazo[5,1-b][1,3]thiazole
Basic Information
CAS
1279721-68-4
Multi CAS
No
Molecular Formula
C5H3BrN2S
Molecular Weight
203.060000
Exact Mass
201.920030
SMILES
C1=C2N(C=N1)C(=CS2)Br
InChI
InChI=1S/C5H3BrN2S/c6-4-2-9-5-1-7-3-8(4)5/h1-3H
InChIKey
XVSDZCXZVRYTHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
8
H-bond acceptors
3
Molar refractivity
40.77
TPSA
17.3
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.9
Consensus LogP
2.32
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.43
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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