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CAS 1342244-16-9 2,6-dioxaspiro[4.5]decan-9-ol molecular structure lightbox
CAS RN: 1342244-16-9

2,6-dioxaspiro[4.5]decan-9-ol

  • Product code: SSC-041693
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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 1342244-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1342244-16-9 / 2,6-dioxaspiro[4.5]decan-9-ol

Standard CAS: 1342244-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342244-16-9
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
C1COC2(CCOC2)CC1O
InChI
InChI=1S/C8H14O3/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7,9H,1-6H2
InChIKey
KQNMYMQMKJZLAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.36
TPSA
38.69

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
-0.2
Consensus LogP
0.13
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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