![CAS 52243-87-5 1,1”-Dipropyl-[4,4”-bipyridine]-1,1”-diium bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52243-87-5.gif)
CAS RN: 52243-87-5
1,1”-Dipropyl-[4,4”-bipyridine]-1,1”-diium bromide
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260528 | 1g | In stock | Shandong | Inquiry | |
| Batchno.20260425 | 1g | Out of stock | Inquiry | ||
| Batchno.20260105 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250614 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251207 | 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250906 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS52243-87-5
- Purity/Analytical Methods: >99.0%
52243-87-5 / 1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium dibromide
Basic Information
CAS
52243-87-5
Multi CAS
No
Molecular Formula
C16H22BR2N2
Molecular Weight
402.200000
Exact Mass
402.012920
InChI
InChI=1S/C16H22N2.2BrH/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16;;/h5-8,11-14H,3-4,9-10H2,1-2H3;2*1H/q+2;;/p-2
InChIKey
UITRTARPQAEHPX-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
72.85
TPSA
7.76
LogP / Solubility
WLOGP
-3.24
MLOGP
-2.83
XLogP3
-3.24
Consensus LogP
-3.1
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
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)
-7.48
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
1.5
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