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CAS 64179-17-5 2-IODOMETHYL-1,4-DIOXANE molecular structure lightbox
CAS RN: 64179-17-5

2-IODOMETHYL-1,4-DIOXANE

  • Product code: SSC-173938
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 64179-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

64179-17-5 / 2-(iodomethyl)-1,4-dioxane

Standard CAS: 64179-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64179-17-5
Multi CAS
No
Molecular Formula
C5H9IO2
Molecular Weight
228.030000
Exact Mass
227.964730
InChI
InChI=1S/C5H9IO2/c6-3-5-4-7-1-2-8-5/h5H,1-4H2
InChIKey
WWQGIZUTLRNTBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.45
TPSA
18.46

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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