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CAS 906673-54-9 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile molecular structure lightbox
CAS RN: 906673-54-9

4-(4-Bromo-3-formyl-phenoxy)-benzonitrile

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 10g In stock Tianjin Inquiry
Batchno.20250913 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250214 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250526 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20250217 5g In stock Tianjin, Wuhan Inquiry
  • Product code: SSC-203232
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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: 5g
  • 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 906673-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

906673-54-9 / 4-(4-bromo-3-formylphenoxy)benzonitrile

Standard CAS: 906673-54-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
906673-54-9
Multi CAS
Yes
Molecular Formula
BC14H8O2Rn
Molecular Weight
302.120000
Exact Mass
300.973840
InChI
InChI=1S/C14H8BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,9H
InChIKey
IEHZPKWXBVTRRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.76
TPSA
50.09

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3.3
Consensus LogP
3.57
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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