CAS RN: 388088-83-3
2-BROMO-1-(3,5-DIMETHYL-1-BENZOTHIOPHEN-2-YL)-1-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.20251102 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS388088-83-3
- Purity/Analytical Methods: >99.0%
388088-83-3 / 2-bromo-1-(3,5-dimethyl-1-benzothiophen-2-yl)ethanone
Basic Information
CAS
388088-83-3
Multi CAS
No
Molecular Formula
C12H11BROS
Molecular Weight
283.190000
Exact Mass
281.971400
InChI
InChI=1S/C12H11BrOS/c1-7-3-4-11-9(5-7)8(2)12(15-11)10(14)6-13/h3-5H,6H2,1-2H3
InChIKey
BEGKHWMWXSYGJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.42
TPSA
17.07
LogP / Solubility
WLOGP
4.1
MLOGP
3.61
XLogP3
4.5
Consensus LogP
4.07
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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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