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CAS 4542-75-0 4,4′-BIS(BROMOMETHYL)-DIPHENYL ETHER molecular structure lightbox
CAS RN: 4542-75-0

4,4′-BIS(BROMOMETHYL)-DIPHENYL ETHER

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100mg In stock Shanghai Inquiry
Batchno.20250524 1g In stock Shanghai Inquiry
Batchno.20250103 250mg In stock Shanghai Inquiry
  • Product code: SSC-153158
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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, 5g
  • 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 4542-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

4542-75-0 / 1-(bromomethyl)-4-[4-(bromomethyl)phenoxy]benzene

Standard CAS: 4542-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4542-75-0
Multi CAS
No
Molecular Formula
C14H12BR2O
Molecular Weight
356.050000
Exact Mass
355.923440
InChI
InChI=1S/C14H12Br2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey
QPSFOUFNVQVKKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
78.22
TPSA
9.23

LogP / Solubility

WLOGP
5.27
MLOGP
4.66
XLogP3
4.6
Consensus LogP
4.84
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

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