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CAS 4162-45-2 Tetrabromobisphenol A Bis(2-hydroxyethyl) Ether molecular structure lightbox
CAS RN: 4162-45-2

Tetrabromobisphenol A Bis(2-hydroxyethyl) Ether

  • Product code: SSC-150019
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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: 100g
  • 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 4162-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

4162-45-2 / 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol

Standard CAS: 4162-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4162-45-2
Multi CAS
Yes
Molecular Formula
C19H20BR4O4
Molecular Weight
632.000000
Exact Mass
631.805410
InChI
InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChIKey
RVHUMFJSCJBNGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
120.97
TPSA
58.92

LogP / Solubility

WLOGP
5.8
MLOGP
5.16
XLogP3
6.1
Consensus LogP
5.69
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.55
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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
2.5

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