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CAS 26482-00-8 1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide molecular structure lightbox
CAS RN: 26482-00-8

1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250622 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-124278
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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: ≥98%
  • 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 26482-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

26482-00-8 / 2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone iodide

Standard CAS: 26482-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26482-00-8
Multi CAS
No
Molecular Formula
C12H11IN2O
Molecular Weight
326.130000
Exact Mass
325.991610
SMILES
C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=N2.[I-]
InChI
InChI=1S/C12H11N2O.HI/c15-12(11-6-2-3-7-13-11)10-14-8-4-1-5-9-14;/h1-9H,10H2;1H/q+1;/p-1
InChIKey
BWAWQRQYQUSQEV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
55.2
TPSA
33.84

LogP / Solubility

WLOGP
-1.74
MLOGP
-1.52
XLogP3
-1.74
Consensus LogP
-1.67
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-5.95

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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