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CAS 140898-76-6 2-iodo-3-bromo-benzo[b]thiophene molecular structure lightbox
CAS RN: 140898-76-6

2-iodo-3-bromo-benzo[b]thiophene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100g In stock Shanghai Inquiry
Batchno.20250301 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250615 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250717 25g In stock Shanghai Inquiry
Batchno.20250708 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-051428
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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 140898-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

140898-76-6 / 3-bromo-2-iodo-1-benzothiophene

Standard CAS: 140898-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140898-76-6
Multi CAS
No
Molecular Formula
C8H4BrIS
Molecular Weight
338.990000
Exact Mass
337.826180
SMILES
C1=CC=C2C(=C1)C(=C(S2)I)Br
InChI
InChI=1S/C8H4BrIS/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKey
CVVNUGQTAJJZGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
62.24
TPSA
28.2000

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
4.3
Consensus LogP
4.11
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

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)
-1.76

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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