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CAS 2260-50-6 Acetylcholine Iodide molecular structure lightbox
CAS RN: 2260-50-6

Acetylcholine Iodide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250429 100g In stock Inquiry
Batchno.20250109 1g Out of stock Inquiry
Batchno.20250821 25g In stock Inquiry
Batchno.20251016 5g In stock Inquiry
  • Product code: SSC-110437
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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: 25g
  • Available purity: ＞97%
  • 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 2260-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

2260-50-6 / 2-acetyloxyethyl(trimethyl)azanium iodide

Standard CAS: 2260-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2260-50-6
Multi CAS
No
Molecular Formula
C7H16INO2
Molecular Weight
273.110000
Exact Mass
273.022580
SMILES
CC(=O)OCC[N+](C)(C)C.[I-]
InChI
InChI=1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
SMBBQHHYSLHDHF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
39.53
TPSA
26.3

LogP / Solubility

WLOGP
-2.74
MLOGP
-2.4
XLogP3
-2.74
Consensus LogP
-2.63
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.48
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)
-6.33

Drug-likeness / Medicinal Chemistry

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

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