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CAS 77972-47-5 1-Methyl-2-(2-pyridyl)pyridinium Iodide molecular structure lightbox
CAS RN: 77972-47-5

1-Methyl-2-(2-pyridyl)pyridinium Iodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250115 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-187516
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 77972-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

77972-47-5 / 1-methyl-2-pyridin-2-ylpyridin-1-ium iodide

Standard CAS: 77972-47-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77972-47-5
Multi CAS
Yes
Molecular Formula
C11H11In2
Molecular Weight
298.120000
Exact Mass
297.996700
InChI
InChI=1S/C11H11N2.HI/c1-13-9-5-3-7-11(13)10-6-2-4-8-12-10;/h2-9H,1H3;1H/q+1;/p-1
InChIKey
PIKLCVQDBVTHFG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.85
TPSA
16.77

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.24
XLogP3
-1.42
Consensus LogP
-1.36
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-5.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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