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CAS 36506-46-4 1,2-BIS(4-BROMOPHENOXY)ETHANE molecular structure lightbox
CAS RN: 36506-46-4

1,2-BIS(4-BROMOPHENOXY)ETHANE

  • Product code: SSC-143696
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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 36506-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

36506-46-4 / 1-bromo-4-[2-(4-bromophenoxy)ethoxy]benzene

Standard CAS: 36506-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36506-46-4
Multi CAS
No
Molecular Formula
C14H12BR2O2
Molecular Weight
372.050000
Exact Mass
371.918360
InChI
InChI=1S/C14H12Br2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKey
FANDKBOZYRTMBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
79.27
TPSA
18.46

LogP / Solubility

WLOGP
4.67
MLOGP
4.13
XLogP3
5.2
Consensus LogP
4.67
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
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)
-1.67

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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