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CAS 97827-17-3 5-(iodomethyl)-2,2-dimethyl-1,3-dioxane molecular structure lightbox
CAS RN: 97827-17-3

5-(iodomethyl)-2,2-dimethyl-1,3-dioxane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-212385
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 97827-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

97827-17-3 / 5-(iodomethyl)-2,2-dimethyl-1,3-dioxane

Standard CAS: 97827-17-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97827-17-3
Multi CAS
Yes
Molecular Formula
C7H13IO2
Molecular Weight
256.080000
Exact Mass
255.996030
InChI
InChI=1S/C7H13IO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5H2,1-2H3
InChIKey
ZMABXOQAFQJFHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.36
TPSA
18.46

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.99

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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