Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
31574-87-5 / 2,8-dibromodibenzothiophene
Basic Information
CAS
31574-87-5
Multi CAS
No
Molecular Formula
C12H6BR2S
Molecular Weight
342.050000
Exact Mass
341.853650
InChI
InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKey
WNEXSUAHKVAPFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
74.73
TPSA
28.2000
LogP / Solubility
WLOGP
5.58
MLOGP
4.93
XLogP3
5.7
Consensus LogP
5.4
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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