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CAS 1089173-60-3 2′,5′-dibromo-1,1′:4′,1”-terphenyl molecular structure lightbox
CAS RN: 1089173-60-3

2′,5′-dibromo-1,1′:4′,1”-terphenyl

  • Product code: SSC-010101
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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 1089173-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1089173-60-3 / 1,4-dibromo-2,5-diphenylbenzene

2',5'-Dibromo-1,1':4',1''-terphenyl | 1,4-di-bromo-2,5-diphenylbenzene | 1,4-dibromo-2,5-diphenylbenzene

Standard CAS: 1089173-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1089173-60-3
Multi CAS
No
Molecular Formula
C18H12Br2
Molecular Weight
388.100000
Exact Mass
387.928530
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2Br)C3=CC=CC=C3)Br
InChI
InChI=1S/C18H12Br2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H
InChIKey
STAITJPOGULPLK-UHFFFAOYSA-N
Synonyms
2',5'-Dibromo-1,1':4',1''-terphenyl 1,4-di-bromo-2,5-diphenylbenzene 1,4-dibromo-2,5-diphenylbenzene 2,5-dibromo-4-phenyl-1,1'-biphenyl SCHEMBL2470342

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
92.71
TPSA
0.0000

LogP / Solubility

WLOGP
6.55
MLOGP
5.78
XLogP3
6.6
Consensus LogP
6.31
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-0.44

Drug-likeness / Medicinal Chemistry

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

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