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CAS 28508-22-7 (iodomethyl)(2-hydroxyethyl)dimethylammonium iodide molecular structure lightbox
CAS RN: 28508-22-7

(iodomethyl)(2-hydroxyethyl)dimethylammonium iodide

  • Product code: SSC-129902
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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: ＞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 28508-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

28508-22-7 / 2-hydroxyethyl-(iodomethyl)-dimethylazanium iodide

Standard CAS: 28508-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28508-22-7
Multi CAS
No
Molecular Formula
C5H13I2NO
Molecular Weight
356.970000
Exact Mass
356.908660
InChI
InChI=1S/C5H13INO.HI/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey
QTKWCDOGFSRVGS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.95
TPSA
20.23

LogP / Solubility

WLOGP
-2.55
MLOGP
-2.22
XLogP3
-2.55
Consensus LogP
-2.44
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-6.71

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

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