CAS RN: 882055-34-7
1-(2-Bromo-benzothiazol-6-yl)-ethanone
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.20260123 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS882055-34-7
- Purity/Analytical Methods: >99.0%
882055-34-7 / 1-(2-bromo-1,3-benzothiazol-6-yl)ethanone
Basic Information
CAS
882055-34-7
Multi CAS
No
Molecular Formula
BC9H6ORnS
Molecular Weight
256.120000
Exact Mass
254.935350
InChI
InChI=1S/C9H6BrNOS/c1-5(12)6-2-3-7-8(4-6)13-9(10)11-7/h2-4H,1H3
InChIKey
CBHZUGGQNGVHTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.32
TPSA
29.96
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.3
Consensus LogP
3.15
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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
Yes
Synthetic Accessibility
1.5
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