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CAS 47369-00-6 1,1′-DIPHENYL-4,4′-BIPYRIDINIUM DICHLORIDE molecular structure lightbox
CAS RN: 47369-00-6

1,1′-DIPHENYL-4,4′-BIPYRIDINIUM DICHLORIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1g In stock Inquiry
Batchno.20260620 250mg In stock Inquiry
Batchno.20260313 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS47369-00-6
  • Purity/Analytical Methods: >99.0%
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47369-00-6 / 1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium dichloride

Standard CAS: 47369-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
47369-00-6
Multi CAS
Yes
Molecular Formula
C22H18CL2N2
Molecular Weight
381.300000
Exact Mass
380.084704
InChI
InChI=1S/C22H18N2.2ClH/c1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22;;/h1-18H;2*1H/q+2;;/p-2
InChIKey
SZZVUWLOZBMPLX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
94.94
TPSA
7.76

LogP / Solubility

WLOGP
-2.08
MLOGP
-1.81
XLogP3
-2.08
Consensus LogP
-1.99
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.53

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
3

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