CAS RN: 5350-05-0
2-Bromobenzothiophene sulfone
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.20250326 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5350-05-0
- Purity/Analytical Methods: >99.0%
5350-05-0 / 2-bromo-1-benzothiophene 1,1-dioxide
Basic Information
CAS
5350-05-0
Multi CAS
No
Molecular Formula
C8H5BRO2S
Molecular Weight
245.090000
Exact Mass
243.919360
InChI
InChI=1S/C8H5BrO2S/c9-8-5-6-3-1-2-4-7(6)12(8,10)11/h1-5H
InChIKey
GSNSVTOQAJSJSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
50.53
TPSA
34.14
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-2.68
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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