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CAS 507241-82-9 2,2′,6-Tribromobiphenyl molecular structure lightbox
CAS RN: 507241-82-9

2,2′,6-Tribromobiphenyl

  • Product code: SSC-157332
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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 507241-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

507241-82-9 / 1,3-dibromo-2-(2-bromophenyl)benzene

Standard CAS: 507241-82-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
507241-82-9
Multi CAS
Yes
Molecular Formula
C12H7BR3
Molecular Weight
390.900000
Exact Mass
389.807740
InChI
InChI=1S/C12H7Br3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H
InChIKey
KGVYWUFWUAWULV-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
5.7
Consensus LogP
5.44
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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