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CAS 51452-87-0 2,2DIBROMODIPHENYL ETHER molecular structure lightbox
CAS RN: 51452-87-0

2,2DIBROMODIPHENYL ETHER

  • Product code: SSC-158293
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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 51452-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

51452-87-0 / 1-bromo-2-(2-bromophenoxy)benzene

Standard CAS: 51452-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51452-87-0
Multi CAS
No
Molecular Formula
C12H8BR2O
Molecular Weight
328.000000
Exact Mass
327.892140
InChI
InChI=1S/C12H8Br2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKey
JMSKYMHFNWGUJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
68.36
TPSA
9.23

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
4.8
Consensus LogP
4.74
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
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
No
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

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

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