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CAS 91891-82-6 2-(5-bromo-2-thienyl)Furan molecular structure lightbox
CAS RN: 91891-82-6

2-(5-bromo-2-thienyl)Furan

  • Product code: SSC-205377
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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: ≥95%
  • 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 91891-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

91891-82-6 / 2-(5-bromothiophen-2-yl)furan

Standard CAS: 91891-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91891-82-6
Multi CAS
No
Molecular Formula
C8H5BROS
Molecular Weight
229.100000
Exact Mass
227.924450
InChI
InChI=1S/C8H5BrOS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKey
OWDOEZLUNHAOTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.72
TPSA
13.14

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.5
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.44

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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