CAS RN: 22275-17-8
2-Bromo-5-(tert-butyl)thiazole
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.20260519 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22275-17-8
- Purity/Analytical Methods: >99.0%
22275-17-8 / 2-bromo-5-tert-butyl-1,3-thiazole
Basic Information
CAS
22275-17-8
Multi CAS
No
Molecular Formula
C7H10BrNS
Molecular Weight
220.130000
Exact Mass
218.971730
SMILES
CC(C)(C)C1=CN=C(S1)Br
InChI
InChI=1S/C7H10BrNS/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3
InChIKey
MPYAUHBDNAUDNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.51
TPSA
12.89
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3.7
Consensus LogP
3.24
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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