[email protected]
CAS 22919-72-8 4,4′-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium) iodide molecular structure lightbox
CAS RN: 22919-72-8

4,4′-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium) iodide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251027 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS22919-72-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22919-72-8 / 1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium diiodide

Standard CAS: 22919-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22919-72-8
Multi CAS
No
Molecular Formula
C14H16I2N2
Molecular Weight
466.100000
Exact Mass
465.940290
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-].[I-]
InChI
InChI=1S/C14H16N2.2HI/c1-15-9-5-13(6-10-15)3-4-14-7-11-16(2)12-8-14;;/h3-12H,1-2H3;2*1H/q+2;;/p-2
InChIKey
PHOXCFGWETZYGT-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.16
TPSA
7.76

LogP / Solubility

WLOGP
-4.49
MLOGP
-3.92
XLogP3
-4.49
Consensus LogP
-4.3
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.79
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)
-8.75

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

Customers Also Viewed

Get In Touch

Contact Us