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CAS 40133-22-0 2-(4-Bromophenyl)thiophene molecular structure lightbox
CAS RN: 40133-22-0

2-(4-Bromophenyl)thiophene

  • Product code: SSC-148117
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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 40133-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

40133-22-0 / 2-(4-bromophenyl)thiophene

Standard CAS: 40133-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40133-22-0
Multi CAS
No
Molecular Formula
C10H7BRS
Molecular Weight
239.130000
Exact Mass
237.945180
InChI
InChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey
XKOJJKOSNQXQGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.46
TPSA
28.2000

LogP / Solubility

WLOGP
4.18
MLOGP
3.68
XLogP3
4.4
Consensus LogP
4.09
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-1.21

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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