CAS RN: 4397-88-0
4,4-Bipyridinium, 1-methyl-, chloride
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.20250415 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4397-88-0
- Purity/Analytical Methods: >99.0%
4397-88-0 / 1-methyl-4-pyridin-1-ium-4-ylpyridin-1-ium dichloride
Basic Information
CAS
4397-88-0
Multi CAS
Yes
Molecular Formula
C11H12CL2N2
Molecular Weight
243.130000
Exact Mass
242.037754
InChI
InChI=1S/C11H11N2.2ClH/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10;;/h2-9H,1H3;2*1H/q+1;;/p-1
InChIKey
QNZRJAUSPCMOBL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.61
TPSA
18.02
LogP / Solubility
WLOGP
-5
MLOGP
-4.39
XLogP3
-5
Consensus LogP
-4.8
Log S (ESOL)
1.28
Class (ESOL)
Highly soluble
Log S (Ali)
2.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.79
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)
-7.75
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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