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CAS 37853-59-1 1,2-Bis(2,4,6-tribromophenoxy)ethane molecular structure lightbox
CAS RN: 37853-59-1

1,2-Bis(2,4,6-tribromophenoxy)ethane

  • Product code: SSC-145300
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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: ＞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 37853-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

37853-59-1 / 1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene

Standard CAS: 37853-59-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
37853-59-1
Multi CAS
Yes
Molecular Formula
C14H8BR6O2
Molecular Weight
687.600000
Exact Mass
687.556310
InChI
InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
InChIKey
YATIGPZCMOYEGE-UHFFFAOYSA-N

Physical Properties

Melting Point
222 °C Melting point = 224 °C (commercial products are mixtures; the melting point given is for the low end of the range)
Density
2.58
Physical Description
1,2-bis(2,4,6-tribromophenoxy)ethane is a white powder. (NTP, 1992) White solid; [HSDB] White to off-white crystalline powder
Appearance
Needles from benzene/ethanol White, crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
110.07
TPSA
18.46

LogP / Solubility

WLOGP
7.72
MLOGP
6.85
XLogP3
7.7
Consensus LogP
7.42
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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