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CAS 2232875-70-4 1,1′-[Biphenyl-4,4′-diylbis(methylene)]bis(4,4′-bipyridinium) Dibromide molecular structure lightbox
CAS RN: 2232875-70-4

1,1′-[Biphenyl-4,4′-diylbis(methylene)]bis(4,4′-bipyridinium) Dibromide

  • Product code: SSC-108911
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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: ≥96%
  • 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 2232875-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

2232875-70-4 / 4-pyridin-4-yl-1-[[4-[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide

Standard CAS: 2232875-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2232875-70-4
Multi CAS
No
Molecular Formula
C34H28Br2N4
Molecular Weight
652.400000
Exact Mass
652.066020
SMILES
C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C4=CC=C(C=C4)C[N+]5=CC=C(C=C5)C6=CC=NC=C6.[Br-].[Br-]
InChI
InChI=1S/C34H28N4.2BrH/c1-5-29(6-2-27(1)25-37-21-13-33(14-22-37)31-9-17-35-18-10-31)30-7-3-28(4-8-30)26-38-23-15-34(16-24-38)32-11-19-36-20-12-32;;/h1-24H,25-26H2;2*1H/q+2;;/p-2
InChIKey
FDWARNTVSSACOK-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
36
Fraction Csp3
0.06
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
149.82
TPSA
33.54

LogP / Solubility

WLOGP
0.16
MLOGP
0.19
XLogP3
0.16
Consensus LogP
0.17
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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