CAS RN: 23484-62-0
2,2′-BipyridiniuM,1,1′-diMethyl-, iodide (1:2)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS23484-62-0
- Purity/Analytical Methods: >99.0%
23484-62-0 / 1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium diiodide
Basic Information
CAS
23484-62-0
Multi CAS
No
Molecular Formula
C12H14I2N2
Molecular Weight
440.060000
Exact Mass
439.924640
SMILES
C[N+]1=CC=CC=C1C2=CC=CC=[N+]2C.[I-].[I-]
InChI
InChI=1S/C12H14N2.2HI/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
InChIKey
QFOJROLPJPRXTK-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.23
TPSA
7.76
LogP / Solubility
WLOGP
-4.99
MLOGP
-4.36
XLogP3
-4.99
Consensus LogP
-4.78
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.5
Class (SILICOS-IT)
Highly 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)
-8.95
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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