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CAS 5556-13-8 4,4′-Dibromo-3,3′-bithiophene molecular structure lightbox
CAS RN: 5556-13-8

4,4′-Dibromo-3,3′-bithiophene

  • Product code: SSC-163484
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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: 1g
  • 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 5556-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

5556-13-8 / 3-bromo-4-(4-bromothiophen-3-yl)thiophene

Standard CAS: 5556-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5556-13-8
Multi CAS
No
Molecular Formula
C8H4BR2S2
Molecular Weight
324.100000
Exact Mass
323.810070
InChI
InChI=1S/C8H4Br2S2/c9-7-3-11-1-5(7)6-2-12-4-8(6)10/h1-4H
InChIKey
QAVREGJMFYCNKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.03
TPSA
56.5000

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
4.3
Consensus LogP
4.57
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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)
-1.15

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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