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CAS 887944-90-3 4-(3-bromo-phenyl)-dibenzofuran molecular structure lightbox
CAS RN: 887944-90-3

4-(3-bromo-phenyl)-dibenzofuran

  • Product code: SSC-200472
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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: 10g
  • 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 887944-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

887944-90-3 / 4-(3-bromophenyl)dibenzofuran

Standard CAS: 887944-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887944-90-3
Multi CAS
No
Molecular Formula
C18H11BRO
Molecular Weight
323.200000
Exact Mass
321.999330
InChI
InChI=1S/C18H11BrO/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11H
InChIKey
OZXHBCWVDDLENO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
86.86
TPSA
13.14

LogP / Solubility

WLOGP
6.02
MLOGP
5.31
XLogP3
6
Consensus LogP
5.78
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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