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CAS 97511-05-2 4-Bromodibenzothiophene molecular structure lightbox
CAS RN: 97511-05-2

4-Bromodibenzothiophene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g In stock Inquiry
Batchno.20250401 1g In stock Inquiry
Batchno.20250703 250mg In stock Inquiry
Batchno.20250819 25g In stock Inquiry
Batchno.20260514 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-212310
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 97511-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

97511-05-2 / 4-bromodibenzothiophene

Standard CAS: 97511-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97511-05-2
Multi CAS
No
Molecular Formula
C12H7BRS
Molecular Weight
263.150000
Exact Mass
261.945180
InChI
InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKey
GJXAVNQWIVUQOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
67.03
TPSA
28.2000

LogP / Solubility

WLOGP
4.82
MLOGP
4.25
XLogP3
5.1
Consensus LogP
4.72
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-0.91

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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