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CAS 2494-56-6 Butyrylcholine Iodide molecular structure lightbox
CAS RN: 2494-56-6

Butyrylcholine Iodide

  • Product code: SSC-120253
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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: 1g
  • 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 2494-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2494-56-6 / 2-butanoyloxyethyl(trimethyl)azanium iodide

Standard CAS: 2494-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2494-56-6
Multi CAS
No
Molecular Formula
C9H20INO2
Molecular Weight
301.170000
Exact Mass
301.053880
SMILES
CCCC(=O)OCC[N+](C)(C)C.[I-]
InChI
InChI=1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
GALNBQVDMJRFGJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
48.77
TPSA
26.3

LogP / Solubility

WLOGP
-1.96
MLOGP
-1.71
XLogP3
-1.96
Consensus LogP
-1.88
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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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