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CAS 123291-15-6 2,6-bis(3-bromophenyl)-4-phenylpyridine molecular structure lightbox
CAS RN: 123291-15-6

2,6-bis(3-bromophenyl)-4-phenylpyridine

  • Product code: SSC-026930
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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: ＞97%
  • 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 123291-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

123291-15-6 / 2,6-bis(3-bromophenyl)-4-phenylpyridine

Standard CAS: 123291-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123291-15-6
Multi CAS
No
Molecular Formula
C23H15Br2N
Molecular Weight
465.200000
Exact Mass
464.955080
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
InChI
InChI=1S/C23H15Br2N/c24-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(26-22)18-9-5-11-21(25)13-18/h1-15H
InChIKey
JPXLPGXBVLWTLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
115.95
TPSA
12.89

LogP / Solubility

WLOGP
7.61
MLOGP
6.73
XLogP3
7.2
Consensus LogP
7.18
Log S (ESOL)
-8
Class (ESOL)
Insoluble
Log S (Ali)
-8.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
-0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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