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CAS 106853-43-4 2-((9-Iodonon-2-Yn-1-Yl)Oxy)Tetrahydro-2H-Pyran molecular structure lightbox
CAS RN: 106853-43-4

2-((9-Iodonon-2-Yn-1-Yl)Oxy)Tetrahydro-2H-Pyran

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008349
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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 106853-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

106853-43-4 / 2-(9-iodonon-2-ynoxy)oxane

2-((9-Iodonon-2-yn-1-yl)oxy)tetrahydro-2H-pyran | 2-(9-iodonon-2-ynoxy)oxane | MFCD29917062

Standard CAS: 106853-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106853-43-4
Multi CAS
No
Molecular Formula
C14H23IO2
Molecular Weight
350.240000
Exact Mass
350.074280
SMILES
C1CCOC(C1)OCC#CCCCCCCI
InChI
InChI=1S/C14H23IO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-4,6-7,9-13H2
InChIKey
GHJVCXXIEDQZOW-UHFFFAOYSA-N
Synonyms
2-((9-Iodonon-2-yn-1-yl)oxy)tetrahydro-2H-pyran 2-(9-iodonon-2-ynoxy)oxane MFCD29917062 2-[(9-iodonon-2-yn-1-yl)oxy]oxane 2H-Pyran, tetrahydro-2-[(9-iodo-2-nonynyl)oxy]-

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
79.29
TPSA
18.46

LogP / Solubility

WLOGP
3.92
MLOGP
3.47
XLogP3
4.9
Consensus LogP
4.1
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

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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