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CAS 59080-34-1 2,2′,5-TRIBROMOBIPHENYL molecular structure lightbox
CAS RN: 59080-34-1

2,2′,5-TRIBROMOBIPHENYL

  • Product code: SSC-167465
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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 59080-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59080-34-1 / 1,4-dibromo-2-(2-bromophenyl)benzene

Standard CAS: 59080-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59080-34-1
Multi CAS
Yes
Molecular Formula
C12H7BR3
Molecular Weight
390.900000
Exact Mass
389.807740
InChI
InChI=1S/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
InChIKey
IYDNWMCMGNRWET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
74.98
TPSA
0.0000

LogP / Solubility

WLOGP
5.64
MLOGP
4.99
XLogP3
5.8
Consensus LogP
5.48
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
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)
-1.1

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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