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CAS 1821235-69-1 Dibenzofuran, 1-bromo-4-phenyl- molecular structure lightbox
CAS RN: 1821235-69-1

Dibenzofuran, 1-bromo-4-phenyl-

  • Product code: SSC-083000
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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 1821235-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1821235-69-1 / 1-bromo-4-phenyldibenzofuran

Standard CAS: 1821235-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821235-69-1
Multi CAS
No
Molecular Formula
C18H11BrO
Molecular Weight
323.200000
Exact Mass
321.999330
SMILES
C1=CC=C(C=C1)C2=C3C(=C(C=C2)Br)C4=CC=CC=C4O3
InChI
InChI=1S/C18H11BrO/c19-15-11-10-13(12-6-2-1-3-7-12)18-17(15)14-8-4-5-9-16(14)20-18/h1-11H
InChIKey
MOFZWXIXTVLLAC-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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