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CAS 2455-43-8 1,4-Bis(4-phenoxyphenoxy)benzene molecular structure lightbox
CAS RN: 2455-43-8

1,4-Bis(4-phenoxyphenoxy)benzene

  • Product code: SSC-119289
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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 2455-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2455-43-8 / 1,4-bis(4-phenoxyphenoxy)benzene

Standard CAS: 2455-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2455-43-8
Multi CAS
No
Molecular Formula
C30H22O4
Molecular Weight
446.500000
Exact Mass
446.151809
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C30H22O4/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h1-22H
InChIKey
QJUDDNWGFYFRFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
30
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
132.51
TPSA
36.92

LogP / Solubility

WLOGP
8.86
MLOGP
7.82
XLogP3
8.8
Consensus LogP
8.49
Log S (ESOL)
-8.31
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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