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CAS 532414-06-5 2-((6-Iodohex-2-Yn-1-Yl)Oxy)Tetrahydro-2H-Pyran molecular structure lightbox
CAS RN: 532414-06-5

2-((6-Iodohex-2-Yn-1-Yl)Oxy)Tetrahydro-2H-Pyran

  • Product code: SSC-160452
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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 532414-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

532414-06-5 / 2-(6-iodohex-2-ynoxy)oxane

Standard CAS: 532414-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
532414-06-5
Multi CAS
No
Molecular Formula
C11H17IO2
Molecular Weight
308.160000
Exact Mass
308.027330
InChI
InChI=1S/C11H17IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1,3-4,6-10H2
InChIKey
KKJUZXSBFRXLBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
65.44
TPSA
18.46

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

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
2

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